Borenium-Catalyzed “Boron Walking” for Remote Site-Selective Hydroboration

Enantioselective type II intramolecular [5 + 2] cycloadditions of oxidopyrylium ylides using chiral-phosphoric-acid catalysis

Organocatalytic Asymmetric Synthesis of o-Carboranyl Amines

Site- and enantioselective allylic and propargylic C–H oxidation enabled by copper-based biomimetic catalysis

Synthesis of strained, air-stable boracycles via boron–carbon-centred diradicals

A classification scheme for inorganic cluster compounds based on their electronic structures and bonding characteristics

Alumanyl-Samarium(II): Synthesis, Characterization, and Reactivity Studies

Antiaromatic 2-Azaboroles with π⁴σ² Electronic Configuration

Avenue to novel o-carboranyl boron compounds - reactivity study of o-carborane-fused aminoborirane towards organic azides

Bent π-Conjugation within a Macrocycle: Asymmetric Total Syntheses of Spirohexenolides A and B

Boryls, their compounds and reactivity: a structure and bonding perspective

Cobalt-catalysed desymmetrization of malononitriles via enantioselective borohydride reduction

Cyclization Reactions of 1,5-Diynes: Mechanisms and the Role of the Central Linker

Examining the stabilising role of metal centre on inter-ligand delocalisation

Fragment Aligned Molecular Orbital Analysis: An Innovative Tool for Analyzing Atypical Chemical Bonding

Metallaaromaticity involving a d⁰ early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes

Natural Fragment Bond Orbital Method for Interfragment Bonding Interaction Analysis

Phosphine-Catalyzed 1,2-cis-Diboration of 1,3-Butadiynes

Reactivity of a Hexaaryldiboron(6) Dianion as Boryl Radical Anions

Two-Stage Dynamic Transformation from δ- to α-CsPbI₃

[2+2+1+1] Cycloaddition for de novo Synthesis of Densely Functionalized Phenols

Asymmetric synthesis of metallacarboranes using a traceless chiral auxiliary

Asymmetric Synthesis of Remotely Chiral Naphthols and Naphthylamines via Naphthoquinone Methides

BN-Butafulvenes and Their Application in the Synthesis of Highly Substituted BN-9,1-Naphthalenes

Boosting Ring Strain and Lewis Acidity of Borirane: Synthesis, Reactivity and Density Functional Theory Studies of an Uncoordinated Arylborirane Fused to o-Carborane

Distance-Triggered Distinct Aryl Migrations on Azidodiboranes

High-Valent Iridium Complexes Containing a Tripodal Bis-Cyclometalated C^N^C Ligand

Incorporating Domain Knowledge and Structure-Based Descriptors for Machine Learning: A Case Study of Pd-Catalyzed Sonogashira Reactions

Intramolecular Arene C(sp²)-H Amidation Enabled by Ferrocenium-Mediated Decomposition of 1,4,2-Dioxazol-5-ones as Amidyl Radical Precursors

Isolable Tetragold(0) Clusters with Polarity-Tunable exo-Au−Au Bond via Intramolecular σ-Aromatization

Neutral Boryl Radicals in Mixed-Valent B^(III)Br-B^(II) Adducts

Persistent and Predominantly Localized Boron Radical from the Reduction of a Three-Dimensional Analogue of NHC-Stabilized Borafluorenium

Photoinduced Dehydrogenative Borylation via Dihydrogen Bond Bridged Electron Donor and Acceptor Complexes

Reactions of Tetra(o-tolyl)diborane(4) with Organic Azides: Formation of Fluorescent Boron-Fused Hexazenes

Regio- and enantioselective remote dioxygenation of internal alkenes

Rhodium(III)-Catalyzed C-H/O-₂ Dual Activation and Macrocyclization: Synthesis and Evaluation of Pyrido[2,1-a]isoindole Grafted Macrocyclic Inhibitors for Influenza H1N1

Site-Selective sp² C-H Cyanation of Allenes via Copper-Catalyzed Radical Relay

Understanding the Organometallic Step: SO₂ Insertion into Bi(III)-C(Ph) Bond

Understanding the Reaction Mechanism of Nickel-Catalyzed Enantioselective Arylative Activation of the Aromatic C-O Bond

Unveiling the Complex Evolution in Mixed Br-Cl Perovskite Precursors for High-Efficiency Deep-Blue Light-Emitting Diodes

Achieving Localization and Semi-localization via Orbital Alignment – Fragment Aligned Molecular Orbital Analysis

Boryls, Their Compounds and Reactivity

Principal Interacting Orbital (PIO): A Chemically Intuitive Method for Deciphering Bonding Interactions

Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene

Al-Sc Bonded Complexes: Synthesis, Structure, and Reaction with Benzene in the Presence of Alkyl Halide

Backbone-controlled LUMO energy induces intramolecular C-H activation in ortho-bis-9-borafluorene-substituted phenyl and o-carboranyl compounds leading to novel 9,10-diboraanthracene derivatives

Cobalt(I) Pincer Complexes: Four- versus Five-coordination

Dewar Metallabenzenes from Reactions of Metallacyclobutadienes with Alkynes

Gauche Effect on 2D Phosphorus Allotropes' Energetics

Insights into the mechanism and selectivity of the Rh(I)-catalyzed cycloisomerization reaction of benzylallene-alkynes involving C-H bond activation

Natural scaffolds-inspired synthesis of CF₃-substituted macrolides enabled by Rh-catalyzed C–H alkylation macrocyclization

NiH-Catalyzed Anti-Markovnikov Hydroamidation of Unactivated Alkenes With 1,4,2-Dioxazol-5-Ones for The Direct Synthesis of N-alkyl Amides

Reactivity of Unsupported Transition Metal-Aluminyl Complexes: A Nucleophilic TM-Al Bond

Rhodium-Catalyzed Regioselective and Chemoselective Deoxygenative Reduction of 1,3-Diketones

Synthesis of Iminoboryl o-Carboranes by Lewis Base Promoted Aminoborirane-to-Iminoborane Isomerization

Synthesis, Characterization, and Properties of Three-Dimensional Analogues of 9-Borafluorenes

Synthetic and Computational Study of the Enantioselective [3+2]-Cycloaddition of Chromones with MBH Carbonates

Understanding of Co(I)-Catalyzed Hydrogenation of C=C and C=O Substrates

2,2-difluorovinyl benzoates for diverse synthesis of gem-difluoroenol ethers by Ni-catalyzed cross-coupling reactions

Anionic Bisoxazoline Ligands Enable Copper-Catalyzed Asymmetric Radical Azidation of Acrylamides

Antiferromagnetically coupled [Fe₈S₉] cluster catalyzed acetylene reduction in a nitrogenase-like enzyme DCCP_Ch: Insights from QM/MM calculations

Azavinylidene Complexes from Coupling Reactions of Organonitriles with Phosphines

Beyond the Nucleophilic Role of Metal–Boryl Complexes in Borylation Reactions

Carbolong Chemistry: Planar CCCCX-type (X = N, O, S) Pentadentate Chelates by Formal [3+1] Cycloadditions of Metalla-azirines with Alkynes

C-C versus C-H Activation: Understanding How the Carbene π-Accepting Ability Controls the Intramolecular Reactivities of Mono(carbene)-Stabilized Borylenes

Enantioselective Copper-Catalyzed Radical Cyanation of Propargylic C-H Bonds: Easy Access to Chiral Allenyl Nitriles

Enantioselective Rh-Catalyzed Hydroboration of Silyl Enol Ethers

Facile access to halogenated cationic B=C-centered organoborons isoelectronic with alkenyl halides

Isomerization of a Cis-(2-Borylalkenyl)Gold Complex via a Retro-1,2-Metalate Shift: Cleavage of a C-C/C-Si Bond Trans to a C-Au Bond

Marine furanocembranoids-inspired macrocycles enabled by Pd-catalyzed unactivated C(sp³)-H olefination mediated by donor/donor carbenes

Mechanistic Insights into Activation of Carbon Monoxide, Carbon Dioxide, and Nitrous Oxide by Acyclic Silylene

Mechanistic study on the reaction of pinB-BMes₂ with alkynes based on experimental investigation and DFT calculations: gradual change of mechanism depending on the substituent

Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols

Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds

Reactions of Rhenacyclobutadiene Complexes with Allenes

Rethinking Borole Cycloaddition Reactivity

Rhodium-Catalyzed Regiodivergent Synthesis of Alkylboronates via Deoxygenative Hydroboration of Aryl Ketones: Mechanism and Origin of Selectivities

Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids

Synthesis, Characterization, and Density Functional Theory Studies of Three-Dimensional Inorganic Analogues of 9,10-Diboraanthracene—A New Class of Lewis Superacids

Understanding the Insertion Reactions of CO₂, Aldehyde and Alkene into Cu-X (X = B, C, O) Bonds

Understanding the reaction mechanism of gold-catalyzed reactions of 2,1-benzisoxazoles with propiolates and ynamides

Structure and Bonding of Group 14 Clusters: Wade’s Rules and Beyond

1,4-selective hydrovinylation of diene catalyzed by an iron diimine catalyst: A computational case study on two-state reactivity

A Study of the Reactivity of (Aza-)Quinone Methides in Selective C6-Alkylations of Indoles

Cu(I)-Catalyzed Enantioselective Alkynylation of Thiochromones

DFT Studies on Copper-Catalyzed Dearomatization of Pyridine

Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay

Halide Effects on the Stability of Osmium Indenylidene Complexes: Isolation, Characterization, and Reactivities

Iridium‐Catalyzed Enantioselective Hydrogenation of Oxocarbenium Ions: A Case of Ionic Hydrogenation

Modular Bonding Picture for Aromatic Borometallic Molecular Wheels

Principal interacting orbital: A chemically intuitive method for deciphering bonding interaction

Principal Interacting Spin Orbital: Understanding the Fragment Interactions in Open-Shell Systems

Rhodium-Catalyzed Deoxygenation and Borylation of Ketones: A Combined Experimental and Theoretical Investigation

Ring Expansion of Alumoles With Organic Azides: Selective Formation of Six-Membered Aluminum-Nitrogen Heterocycles

Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue

Substituent Effect on the Reactions of OsCl₂(PPh₃)₃ with o-Ethynylphenyl Carbonyl Compounds

Superatomic Ligand-Field Splitting in Ligated Gold Nanoclusters

Synthesis of Complex Boron-Nitrogen Heterocycles Comprising Borylated Triazenes and Tetrazenes Under Mild Conditions

Theoretical Studies on Rh-Catalyzed Cycloisomerization of Homopropargylallene-Alkynes through C(sp3)-C(sp) Bond Activation

Understanding the diverse reactivity of pentaphenylborole toward epoxides

Unexpected Electronic Behavior of Organic Azide and Metal-Carbyne in Their 1,3-Dipolar Cycloaddition Reaction

Boryls, Their Metal Complexes and Catalysis - Theoretical and Computational Insights

1,2,3-Diazaborinine: A BN Analogue of Pyridine Obtained by Ring Expansion of a Borole with an Organic Azide

4-Coordinated, 14-electron ruthenium(II) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl₂ and organic azides

Access to Metal-Bridged Osmathiazine Derivatives by a Formal [4+2] Cyclization

DFT Studies on Metal-Controlled Regioselective Amination of N-Acylpyrazoles with Azodicarboxylates

DFT Studies on the Mechanism of Copper-Catalyzed Boracarboxylation of Alkene with CO2 and Diboron

Hydroalkynylation of Enamides Using Iridium or Rhodium Complexes: DFT Study on the Mechanism and Regioselectivity

Inter-ligand delocalisations in transition metal complexes containing multiple non-innocent ligands

Organocatalytic Enantioselective Functionalization of Unactivated Indole C(sp³)−H Bonds

Reactivity of Highly Lewis-Acidic Diborane(4) toward C≡N and N=N Bonds: Uncatalyzed Addition and N=N Bond-Cleavage Reactions

Remote Bonding in Clusters [Pd₃Ge₁₈R₆]^2-: Modular Bonding Model for Large Clusters via Principal Interacting Orbital Analysis

Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems

Site-specific Allylic C-H Bond Functionalization With a Copper-bound N-centred Radical

Substituent Effects on Reactions of [RhCl(COD)]₂ with Diazoalkanes

Successive Modification of Polydentate Complexes Gives Access to Planar Carbon- and Nitrogen-based Ligands

Synthesis, Structure and DFT Calculations of Mononuclear Cyclic (alkyl)(amino) Carbene Supported Titanium(II) Complexes

Boryls, Their Metal Complexes and Catalysis - Theoretical and Computational Insights

Unravelling chemical interactions with Principal Interacting Orbital (PIO) analysis

Unravelling chemical interactions with Principal Interacting Orbital (PIO) analysis

A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)₂}₂]- applied to some challenging resolutions

DFT Studies on the Reactions of Boroles with Alkynes

Divergent Synthesis of CF₃-Substituted Allenyl Nitriles by Ligand-Controlled Radical 1,2-and 1,4-Addition to 1,3-Enynes

Facile synthesis of polycyclic metallaarynes

Isolation and Enantiostability of the B-chiral Bis(salicylato) Borate Anions [B_R(Sal)₂] and [B_S(Sal)₂]

Mechanistic Studies on the Palladium-catalyzed Cross-dehydrogenative Coupling of 4-phenoxy-2-coumarins: Experimental and Computational Insights

NHC-Catalyzed Electrophilic Trifluoromethylation: Efficient Synthesis of γ-Trifluoromethyl α,β-Unsaturated Esters

Reaction of B₂(o-tol)₄ with CO and Isocyanides: Cleavage of the C O Triple Bond and Direct C-H Borylations

Rhenium-Promoted C−C Bond-Cleavage Reactions of Internal Propargyl Alcohols

Syntheses and Structures of Ruthenium Complexes Containing a Ru-H-Tl Three-Center-Two-Electron Bond

Syntheses of Re(V) Alkylidyne Complexes and Ligand Effect on the Reactivity of Re(V) Alkylidyne Complexes Toward Alkynes

Theoretical Investigations on The Unsymmetrical Effect of β-link Zn-porphyrin Sensitizers on The Performance for Dye-sensitized Solar Cells

Theoretical Studies on Pd(II)-Catalyzed meta-Selective C-H Bond Arylation of Arenes

Transition Metal-Free Trans Hydroboration of Alkynoic Acid Derivatives: Experimental and Theoretical Studies

Transition-Metal-Like Behavior of Monovalent Boron Compounds: Reduction, Migration, and Complete Cleavage of CO at a Boron Center

Unravelling chemical interactions with Principal Interacting Orbital analysis

Transition Metal Catalyzed Reactions of Carbon Dioxide - Computational Insight

Unravelling chemical interactions with Principal Interacting Orbital (PIO) analysis

X-Ligand Effects on Alkyne Insertion Reactions of Ruthenium Hydride Complexes

A Computational Way to Achieve More Effective Candidates for Photodynamic Therapy

Abnormal Tin-Boron Exchange in the Attempted Synthesis of a Borylated Borole

Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines

Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4)

Color-Tuning Strategy for Iridapolycycles [(N∧N)Ir(C∧C)ClPPh3]+ by the Synergistic Modifications on Both the C∧C and N∧N Units

Computational Studies on Rhodium(III) Catalyzed C-H Functionalization versus Deoxygenation of Quinoline N-Oxides with Diazo Compounds

Copper(I)-Catalyzed Asymmetric Desymmetrization through Inverse-Electron-Demand aza-Diels–Alder Reaction: Efficient Access to Tetrahydropyridazines Bearing a Unique α-Chiral Silane Moiety

DFT Studies of Dimerization Reactions of Boroles

DFT Studies of Ru-Catalyzed C-O versus C-H Bond Functionalization of Aryl Ethers with Organoboronates

DFT Studies on Reactions of Boroles with Carbon Monoxide

Enantioselective Copper-Catalyzed Intermolecular Amino- and Azidocyanation of Alkenes in a Radical Process

Enantioselective Decarboxylative Cyanation Employing Cooperative Photoredox Catalysis and Copper Catalysis

Enantioselective Palladium-Catalyzed Oxidative Cascade Cyclization of Aliphatic Alkenyl Amides

Localized bonding model for coordination and cluster compounds

Organocatalytic Synthesis of Chiral Tetrasubstituted Allenes from Racemic Propargylic Alcohols

Reactions of (Cyclopentadienylidenehydrazono)triphenylphosphorane with Chlororuthenium(II) Complexes and Substituent Effect on the Thermodynamic Trend in the Migratory-Insertion Reactions of Chlororuthenium-Alkylidene Complexes

Reactions of Isocyanides with Metal Carbyne Complexes: Isolation And Characterization of Metallacyclopropenimine Intermediates

Reactions of Osmium Carbyne Complexes OsCl3( CR)(PPh3)(2) (R = CH=CPh2, CH2Ar) with Bromine and Hydrogen Peroxide

Regioselective Synthesis of Polycyclic and Heptagon-embedded Aromatic Compounds through a Versatile π-Extension of Aryl Halides

Structure and Bonding of [Pd₂Sn₁₈]⁴⁻: An Interesting Example of the Mutual Delocalisation Phenomenon

Synthesis and Reactivities of Polyhydrido Osmium Arylsilyl Complexes Prepared from OsH₃Cl(PPh₃)₃

Synthesis, structure and reactivity of a borylene cation [(NHSi)2B(CO)]+ stabilized by three neutral ligands

A Potassium Diboryllithate: Synthesis, Bonding Properties, and the Deprotonation of Benzene

Alkyne Metathesis Reactions of Rhenium(V) Carbyne Complexes

An [Au₁₃]⁵⁺ Approach to the Study of Gold Nanoclusters

Antimicrobial and toxicological evaluations of binuclear mercury(ii)bis(alkynyl) complexes containing oligothiophenes and bithiazoles

Conjugated Oligothiophene Derivatives Based on Bithiophene with Unsaturated Bonds as Building Blocks for Solution-Processed Bulk Heterojunction Organic Solar Cells

Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes₂

Fully Borylated Methane and Ethane by Ruthenium-Mediated Cleavage and Coupling of CO

Metal-Free Borylation of Electron-Rich Aryl (Pseudo) Halides under Continuous-Flow Photolytic Conditions

Preparation of all N-coordinated zirconium amide amidinates and studies of their reactions with dioxygen and water

Preparation of Osmium η³-Allenylcarbene Complexes and Their Uses for the Syntheses of Osmabenzyne Complexes

Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex

Regioselective and Stereospecific Copper-Catalyzed Deoxygenation of Epoxides to Alkenes

Ring Contraction of a Pinacolatoboryl Group To Form a 1,2-Oxaboretane Ring: Reaction of Unsymmetrical Diborane(4) with 2,6-Dimethylphenyl Isocyanide

Synthesis and Characterization of Dirhenadehydro[12]annulenes

Synthesis and fluxional behaviour of novel chloroborole dimers

Synthesis and Structural Characterization of Carbene-Stabilized Carborane-Fused Azaborolyl Radical Cation and Dicarbollyl-Fused Azaborole

Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)₃]I with Terminal Alkynes and Alkynols

Unique properties of C, C '-linked nido-biscarborane tetraanions. Synthesis, structure and bonding of ruthenium monocarbollide via unprecedented cage carbon extrusion

Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination

Addition reaction of o-carboranyllithium with nitrile: Formation of a stable zwitterionic iminium salt with a carborane tether

An Aggregation-Induced Emission-Active Macrocycle: Illusory Topology of the Penrose Stairs

Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution

Catalytic Enantioselective Intermolecular Desymmetrization of Azetidines

Computational Insight into Nickel-Catalyzed Carbon-Carbon versus Carbon-Boron Coupling Reactions of Primary, Secondary, and Tertiary Alkyl Bromides

DFT Studies on Structures, Stabilities, and Electron Affinities of closo-Supercarboranes C2Bn-2Hn (n=13-20)

Electron counting approach to the structure and bonding of sandwiched low dimensional palladium clusters

Exoselective 1,3-Dipolar [3+6] Cycloaddition of Azomethine Ylides with 2-Acylcycloheptatrienes: Stereoselectivity and Mechanistic Insight

Gold(III)-Catalyzed Intramolecular Cyclization of α-Pyrroles to Pyrrolopyridinones and Pyrroloazepinones: A DFT Study

Highly Efficient Tetradentate Ruthenium Catalyst for Ester Reduction: Especially for Hydrogenation of Fatty Acid Esters

Lowering the Reduction Potential of a Boron Compound by Means of the Substituent Effect of the Boryl Group: One-Electron Reduction of an Unsymmetrical Diborane(4)

Mechanistic Insight into the Gold-Catalyzed Carboxylative Cyclization of Propargylamines

Organocatalytic Asymmetric Synthesis of 1,1-Diarylethanes by Transfer Hydrogenation

Peeling the onion: a revised model of the electron count for matryoshka clusters

Reactions of Osmabenzene with Silver/Copper Acetylides: From Metallabenzene to Benzene

Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes

Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne

Rhodium(III)-Catalyzed Hydrazine-Directed C-H Activation for Indole Synthesis: Mechanism and Role of Internal Oxidant Probed by DFT Studies

Ruthenium-Catalyzed Deuteration of Alcohols with Deuterium Oxide

Supercarborane Radical Anions with 2n+3 Electron Counts: A Combined Experimental and Theoretical Study

Synthesis of aromatic aza-metallapentalenes from metallabenzene via sequential ring contraction/annulation

Synthesis, Characterization and Crystal Structures of Some Metal Carbonyl Linking Clusters of Osmium, Ruthenium and Cobalt Derived from Diethynylarenes

Synthesis, Structure, and Reactivity of Anionic sp(2)-sp(3) Diboron Compounds: Readily Accessible Boryl Nucleophiles

The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(i) compound

Zinc-Catalyzed Dual C-X and C-H Borylation of Aryl Halides

Lewis Description of Bonding in Transition Metal Complexes

A green catalysis of CO₂ fixation to aliphatic cyclic carbonates by a new ionic liquid system

A Tetravalent Cerium Complex Containing a Ce=O Bond

Computational Insight into the Mechanism of Nickel-Catalyzed Reductive Carboxylation of Styrenes using CO2

DFT studies on the mechanism of palladium-catalyzed carbon-silicon cleavage for the synthesis of benzosilole derivatives

Dithieno[3,2-b:2′,3′-d]pyran-containing organic D-π-A sensitizers for dye-sensitized solar cells

Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent

Insight into Reaction Mechanism of [2+2+1] Cross-Cyclotrimerization of Carboryne with Alkene and Trimethylsilylarylalkyne Mediated by Nickel Complex

Iridium-catalyzed C-H borylation of pyridines

Mechanism for the Carboxylative Coupling Reaction of a Terminal Alkyne, CO2, and an Allylic Chloride Catalyzed by the Cu(I) Complex: A DFT Study

Pd-catalysed Intramolecular Regioselective Arylation of 2-pyrones, Pyridones, Coumarins and Quinolones by C-H bond Functionalization

Reactivities and Electronic Properties of Boryl Ligands

Ruthenium(II) Photosensitizers with Electron-Rich Diarylamino-Functionalized 2,2 '-Bipyridines and Their Application in Dye-Sensitized Solar Cells

Structural Revision of Cephalosporolide J and Bassianolone

Synthesis and characterization of MH⋯HOR dihydrogen bonded ruthenium and osmium complexes (η⁵-C₅H₄CH₂OH)MH(PPh₃)₂ (M = Ru, Os)

Synthesis of Rhenabenzenes from the Reactions of Rhenacyclobutadienes with Ethoxyethyne

Synthesis, Characterization, and Electroluminescent Properties of Iridium(III) 2-Phenylpyridine-type Complexes Containing Trifluoromethyl Substituents and Various Main-Group Moieties

Theoretical Studies on the Regioselectivity of Iridium-Catalyzed 1,3-Dipolar Azide-Alkyne Cycloaddition Reactions

Understanding the reaction mechanisms of Pd-catalysed oxidation of alcohols and domino oxidation–arylation reactions using phenyl chloride as an oxidant

Understanding the Reactivity Difference of Isocyanate and Isothiocyanate toward a Ruthenium Silylene Hydride Complex

Theoretical Insights into Transition Metal Catalyzed Reactions of Carbon Dioxide

Boryl Ligands and Their Roles in Metal-Catalyzed Borylation Reactions

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO2 and Hydrosilanes

A Remarkable cis- and trans-Spanning Dibenzylidene Acetone Diphosphine Chelating Ligand (dbaphos)

Bis(sulfonylimide)ruthenium(VI) Porphyrins: X-ray Crystal Structure and Mechanism of CH Bond Amination by Density Functional Theory Calculations

Bulky dendritic triarylamine-based organic dyes for efficient co-adsorbent-free dye-sensitized solar cells

cine-Substitution Reactions of Metallabenzenes: An Experimental and Computational Study

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO₂ and Hydrosilanes

DFT studies on the mechanisms of palladium-catalyzed intramolecular arylation of a silyl C(sp3)-H bond

DFT Studies on the Palladium-Catalyzed Dearomatization Reaction between Chloromethylnaphthalene and the Cyclic Amine Morpholine

Effects of substituents on the formation of rhenium carbyne and η²-vinyl complexes from the reactions of ReH₅(PMe₂Ph)₃ with terminal alkynes

Key Intermediates of Iodine-Mediated Electrophilic Cyclization: Isolation and Characterization in an Osmabenzene System

Metallophosphors of iridium(III) containing borylated oligothiophenes with electroluminescence down to the near-infrared region

Theoretical Studies of Ring-Opening Reactions of Phenylcyclobutabenzenol and Its Reactions with Alkynes Catalyzed by Rhodium Complexes

Theoretical Studies on Nickel-Catalyzed Cycloaddition of 3-Azetidinone with Alkynes

Cu(I)/TF-BiphamPhos Catalyzed Reactions of Alkylidene Bisphosphates and Alkylidene Malonates with Azomethine Ylides: Michael Addition versus 1,3-Dipolar Cycloaddition

DFT studies on copper-catalyzed arylation of aromatic C-H bonds

DFT Studies on Gold-Catalyzed Cycloisomerization of 1,5-Enynes

DFT Studies on the Mechanisms of the Platinum-Catalyzed Diboration of Acyclic alpha,beta-Unsaturated Carbonyl Compounds

DFT studies on the reaction of CO2 with allyl-bridged dinuclear palladium(I) complexes

Enantioselective Synthesis of beta,gamma-Unsaturated alpha-Fluoroesters Catalyzed by N-Heterocyclic Carbenes

Hydrogen Shift Reactions of Rhenium Hydrido Carbyne Complexes

Iridium-catalyzed C-H borylation of quinolines and unsymmetrical 1,2-disubstituted benzenes: insights into steric and electronic effects on selectivity

Mechanism of the MeReO3-Catalyzed Deoxygenation of Epoxides

Selective Formation of 1,4-Disubstituted Triazoles from Ruthenium-Catalyzed Cycloaddition of Terminal Alkynes and Organic Azides: Scope and Reaction Mechanism

Spectroscopic and structural characterization of the CyNHC adduct of B 2pin 2 in solution and in the solid state

Synthesis and characterization of 11-vertex platinaborane compounds having nido-PtB 10H 12 and nido-Pt 2B 9H 10 skeletons

Synthesis and Characterization of a Metallapyridyne Complex

Synthesis and Characterization of Rhenabenzyne Complexes

Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl₂(OEt)(PPh₃)₂ with Alkynols

Synthesis, Characterization and Structural Properties of Some Heterobimetallic Carbonyl Clusters Derived from Diethynylsilane and Diethynyldisilane Ligands

The structure of Silicate Ions in C-S-H discussed from chemical composition

Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes

Thermal and photochemical reactions of azidoruthenium(III) complexes of macrocyclic tertiary amines and the structure of the (phosphoraniminato) ruthenium(III) complex trans-[Ru(14-TMC)(N3)(NPPh3)] +

Reactivities and Electronic Properties of Boryl Ligands

Reactivities and Electronic Properties of Boryl Ligands in Organometallic Reactions

2,6-Diisopropoxyphenyl(dicyclohexyl) phosphine: A New Ligand for Palladium-Catalyzed Amination Reactions of Aryl Chlorides with Potassium Hydroxide as the Base

Conversion of Metallabenzynes into Carbene Complexes

Copper-mediated reduction of CO2 with pinB-SiMe2Ph via CO2 insertion into a copper-silicon bond

DFT Studies on Reactions of CO2 with Niobium and Vanadium Nitride Complexes

Electrophilic substitution reactions of metallabenzynes

Exchange coupling through diamagnetic [Fe(CO)(4)](2-) bridging ligands in a xenophilic cluster

Light-emitting dyes derived from bifunctional chromophores of diarylamine and oxadiazole Synthesis, crystal structure, photophysics and electroluminescence

Mechanism of silver- and copper-catalyzed decarboxylation reactions of aryl carboxylic acids

Mechanisms of Reactions of a Lithium Boryl with Organohalides

Synthesis and Characterization of a Rhenabenzyne Complex

Theoretical study on the rearrangement of metallabenzenes to cyclopentadienyl complexes

Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of Bu(t)N=Ta(NMe(2))(3) with silanes

A DFT study on the Rhenabenzene Complexes

Interplay between Theory and Experiment: Computational Organometallic and Transition Metal Chemistry

Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction

DFT studies on the carboxylation of arylboronate esters with CO2 catalyzed by copper(I) complexes

Dialkylamino cyclopentadienyl ruthenium(II) complex-catalyzed alpha-alkylation of arylacetonitriles with primary alcohols

Hydrogen/Deuterium Exchange Reactions of Olefins with Deuterium Oxide Mediated by the Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) Complex

Interplay between Theory and Experiment: Computational Organometallic and Transition Metal Chemistry

Mechanism of the Palladium-Catalyzed Borylation of Aryl Halides with Pinacolborane

Metallophosphors of platinum with distinct main-group elements: a versatile approach towards color tuning and white-light emission with superior efficiency/color quality/brightness trade-offs

Nonclassical ruthenium silyl dihydride complexes TpRu(PPh ₃)(η³-HSiR₃H) [Tp = hydridotris(pyrazolyl)borate]: Catalytic hydrolytic oxidation of organosilanes to silanols with TpRu(PPh₃)(η³-HSiR ₃H)

Rhenium Carbyne and η²-Vinyl Complexes from One-Pot Reactions of ReH₅(PMe₂Ph)₃ with Terminal Alkynes

Stifle Cross-Coupling Reactions of Alkenylstannanes with Alkenyl Iodides Mediated by Copper(I) Thiophene-2-carboxylate: A Density Functional Study

Synthesis and Characterization of Rhenabenzenes

Synthesis, Characterization and Crystal Structures of Some Linked Metal Carbonyl Clusters Derived from Diethynyl-Substituted Silane and Disilane Ligands

The reaction of carboxylic acid esters with R_fMgBr: A convenient synthesis of perfluoroalkyl ketones

Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions

Boryl Ligands and Their Roles in Metal-Catalyzed Borylation Reactions

DFT Studies on Ru-Catalyzed C-H Amination of Arylazides

A Facile Route to Aryl Boronates: Room-Temperature, Copper-Catalyzed Borylation of Aryl Halides with Alkoxy Diboron Reagents

A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core

Boryl ligands and their roles in metal-catalysed borylation reactions

d⁰過渡金屬化合物對氧氣反應性:合成和反應機理研究

Density Functional Theory Studies on the Reduction of CO2 to CO by a (NHC)Ni-0 Complex

DFT Studies on Reactions of Transition Metal Complexes with O-2

DFT Studies on the Reduction of CO2 to CO by a (NHC)Ni(0) Complex

O-Abstraction Reactions of Nitrous Oxide with Cp2Ti(II) and Other Middle Transition Metal Complexes

Phosphorescence Color Tuning by Ligand, and Substituent Effects of Multifunctional Iridium(III) Cyclometalates with 9-Arylcarbazole Moieties

Reactivities of d⁰ transition metal complexes toward oxygen: Synthetic and mechanistic studies

Ruthenium-Catalyzed Intramolecular Amination Reactions of Aryl- and Vinylazides

STRUCTURE DETERMINATION OF TpRu(PPh3) {kappa(2)-N, O-NH = C(Ph)N = C(Ph)O}: A STORY OF HOW COMPUTATIONAL STUDIES CONTRIBUTE TO THE STRUCTURAL CHARACTERIZATION PROCESS

Symmetric Versus Unsymmetric Platinum(II) Bis(aryleneethynylene)s with Distinct Electronic Structures for Optical Power Limiting/Optical Transparency Trade-off Optimization

Synthesis of Monosubstituted Cyclopentadienyl Ruthenium Complexes from the Reactions of 6-Substituted Fulvenes with RuHCI(PPh₃)₃

Synthesis, characterization, photophysics and electrophosphorescent applications of phosphorescent platinum cyclometalated complexes with 9-arylcarbazole moieties

Theoretical Investigations on Mechanisms of pd(OAC)(2)-Catalyzed Intramolecular Diaminations in the Presence of Bases and Oxidants

Theoretical studies on beta-aryl elimination from Rh(I) complexes

DFT Studies on Ru-Catalyzed C-H Amination of Arylazides

A DFT study on the mechanism of hydrosilylation of unsaturated compounds with neutral hydrido(hydrosilylene)tungsten complex

A multifunctional iridium-carbazolyl orange phosphor for high-performance two-element WOLED exploiting exciton-managed fluorescence/phosphorescence

A natural light induced regioselective 6 pi-electrocyclisation-oxidative aromatisation reaction: experimental and theoretical insights

A photoluminescent hexanuclear silver(I) complex exhibiting C-H ... Ag close interactions

DFT studies on the borylation of α,β-unsaturated carbonyl compounds catalyzed by phosphine copper(I) boryl complexes and observations on the interconversions between O- and C-bound enolates of Cu, B, and Si

DFT studies on the mechanism of the diboration of aldehydes catalyzed by copper(I) boryl complexes

DFT STUDIES ON THE STABILITY OF THE TRANS AND CIS ISOMERS IN THE SQUARE PLANAR PALLADIUM(II) COMPLEXES Pd(I)(PPh3) (eta(3)-XCHC(Ph) CHR) (X = CMe3, CO2 Me, P(O)(OMe)(2), AND SO2H; R = H, Me)

Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes

Insertion reactions of allenes with palladium aryl complexes [PdI(Ph)(PPh3)](2) and PdI(Ph)(dppe)

Manipulating charge-transfer character with electron-withdrawing main-group moieties for the color tuning of iridium electrophosphors

Mechanism of catalytic hydration of nitriles with hydrotris(pyrazolyl) borato (Tp) ruthenium complexes

Reactions of Cp*RuCl(COD) with alkynes: Isolation of dinuclear metallacyclopentatriene complexes

Red-light-emitting Iridium Complexes with Hole-transporting 9-arylcarbazole Moieties for Electrophosphorescence Efficiency/color Purity Trade-off Optimization

Rhodium catalysed dehydrogenative borylation of alkenes: Vinylboronates via C-H activation

Robust Tris-Cyclometalated Iridium(III) Phosphors with Ligands for Effective Charge Carrier Injection/Transport: Synthesis, Redox, Photophysical, and Electrophosphorescent Behavior

Ruthenium-catalyzed azide-alkyne cycloaddition: Scope and mechanism

Synthesis of Double-End-Capped Polyethylene by a Cationic Tris(pyrazolyl)borate Zirconium Benzyl Complex

Theoretical studies on coupling reactions of carbon dioxide with alkynes mediated by nickel(0) complexes

Theoretical studies on O-insertion reactions of nitrous oxide with ruthenium hydride complexes

Understanding the higher reactivity of B(2)cat(2) versus B(2)pin(2) in Copper(I)-catalyzed alkene diboration reactions

Understanding the highly regioselective cyanothiolation of 1-alkynes catalyzed by palladium phosphine complexes

Unexpected formation of (dimethylaminomethylene)methylamide complexes from the reactions between metal chlorides and lithium dimethylamide

Contempory Metal Boron Chemistry I

Theoretical Aspects of Metal Vinylidene and Allenylidene Complexes

Transition metal sigma-borane complexes

Theoretical studies on the mechanisms of Cu(I)-catalyzed borations of carbonyl compounds

Theoretical studies on the mechanisms of Cu(I)-catalyzed borations of carbonyl compounds

A metallanaphthalyne complex from zinc reduction of a vinylcarbyne complex

Catalytic H/D exchange between organic compounds and D2O with TpRu(PPh3)(CH3CN)H (Tp = hydro(trispyrazolyl)borate). Reaction of TpRu(PPh3)(CH3CN)H with water to form acetamido complex TpRu(PPh3)(H2O)(NHC(O)CH3)

Conformational flexibility in a carbobicyclic diphosphinite ligand

Current understanding of the sigma-bond metathesis reactions of LnMR+R `-H -> LnMR `+R-H

Cyclometalation of 2-Vinylpyridine with MCl²(PPh³)³ and MHCl(PPh³)³ (M ) Ru, Os)

DFT studies of alkene insertions into Cu-B bonds in copper(I) boryl complexes

DFT studies of beta-boryl elimination processes: Potential role in catalyzed borylation reactions of alkenes

DFT studies on the effect of the nature of the aryl halide Y-C6H4-X on the mechanism of its oxidative addition to (PdL)-L-0 versus (PdL2)-L-0

DFT studies on the mechanism of reactions between N2O and CP2M(eta(2)-alkyne) (M = Ti, Zr)

Efficient organic light-emitting diodes based on sublimable charged iridium phosphorescent emitters

Electron counting in carbaalane clusters with cubic aluminum core

Ligand effect on the insertion reactions of allenes with MHCl(CO)(PPh₃)₃and MHCl(PPh₃)₃ (M = Ru, Os)

New platinum(II) complexes as triplet emitters for high-efficiency monochromatic pure orange electroluminescent devices

Optical power limiters based on colorless di-, oligo-, and polymetallaynes: Highly transparent materials for eye protection devices

Reaction of Ta(NMe2)5 with O2:  Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways

Some ruthenium hydride, dihydrogen, and dihydrogen-bonded complexes in catalytic reactions

Understanding nonplanarity in metallabenzene complexes

DFT Studies on the Mechanism of Allylative Dearomatization Catalyzed by Palladium

Structure and Bonding in Metallabenzene Complexes

Activation of the S-S bonds of alkyl disulfides RSSR (R = Me, Et, Pr, Bu-n) by heterodinuclear phosphido-bridged CpW(Co)(2)(mu-PPh2)Mo(CO)(5)

beta-Heteroatom versus beta-hydrogen elimination: A theoretical study

BF3-activated oxidation of alkanes by MnO4-

Computational study on the reaction mechanism of hydrosilylation of carbonyls catalyzed by high-valent rhenium(V)-di-oxo complexes

Density functional theory studies on the mechanism of the reduction of CO2 to CO catalyzed by copper(I) boryl complexes

DFT studies on the mechanism of allylative dearomatization catalyzed by palladium

DFT Studies on the Mechanism of the Reduction of CO2 to CO Catalyzed by Copper(I) Boryl Complexes

Effect of acetylenic chain length on the tuning of functional properties in fluorene-bridged polymetallaynes and their molecular model compounds

Effect of the leaving ligand X on transmetalation of organostannanes (vinylSnR(3)) with LnPd(Ar)(X) in Stille cross-coupling reactions. A density functional theory study

In-depth insight into metal-alkene bonding interactions

Multifunctional iridium complexes based on carbazole modules as highly efficient electrophosphors

Osmabenzenes from the reactions of a dicationic osmabenzyne complex

Phosphinite ligand effects in palladium(II)-Catalysed cycloisomerisation of 1,6-dienes: Bicyclo[3.2.0]heptanyl diphosphinite (B[3.2.0]DPO) ligands exhibit flexible bite angles, an effect derived from conformational changes (exo- or endo-envelope) in the bicyclic ligand scaffold

Phosphorescent platinum(II) complexes derived from multifunctional chromophores: Synthesis, structures, photophysics, and electroluminescence

Reactions of [Cp*Ru(H₂O)(NBD)]⁺ with dihydrogen, silanes, olefins, alkynes, and allenes

Regioselectivity in the Sonogashira coupling of 4,6-dichloro-2-pyrone

Ruthenium-mediated coupling/cycloaddition of the cyclopentadienyl ligand in [{eta(5):sigma-Me2C-(C5H4)(C2B10H10)}Ru(NCCH3)(2)] with alkynes

Silver(I) complexes in coordination supramolecular system with bulky acridine-based ligands: Syntheses, crystal structures, and theoretical investigations on C-H center dot center dot center dot Ag close interaction

Structures and energetics of porphyrin-fullerene supramolecular complexes

Synthesis and reactivity of cobalt boryl complexes

Synthesis of heterobimetallic Ru-Mn complexes and the coupling reactions of epoxides with carbon dioxide catalyzed by these complexes

Theoretical investigation of alkyne metathesis catalyzed by W/Mo alkylidyne complexes

Theoretical studies on the protonation behavior of tropone and its metal complexes

Understanding the relative easiness of oxidative addition of aryl and alkyl halides to palladium(0)

White metallopolyynes for optical limiting/transparency trade-off optimization

Computational Study on Hydrosilylationof Carbonyls Catalyzed by High-Valent Rhenium(V)-zdioxo Complex

DFT Studies on the Effect of the Aryl Halide on its Oxidative Addition to PdL versus PdL2 Palladium(0) Species

Reactions of Olefin- and Alkyl-Dihydrogen Complexes --- Relevance to Olefin Hydrogenation Catalysis

A multifunctional platinum-based triplet emitter for OLED applications

Functional sidearm promoted electron-transfer reactions: a new route to metallacarboranes incorporating the eta(7)-arachno-carboranyl ligands

Insertion reactions of allenes giving vinyl complexes

Isomerism of Cp-containing transition metal allyl complexes

Mechanism of endo-exo interconversion in eta(3)-allyl Cp complexes: A longstanding unresolved issue

Requirement for an oxidant in Pd/Cu co-catalyzed terminal alkyne homocoupling to give symmetrical 1,4-disubstituted 1,3-diynes

Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study

Structure and bonding of d(8) allyl complexes M(eta(3)-allyl)L-3 (M = Co, Rh, Ir; L = phosphine or carbonyl)

Syntheses, structures, and VT NMR studies of diselenophosphates of group 14 organometals. DFT calculations for gas-phase stability of dinuclear ions, [(Ph3M)(2){mu-Se, Se-P(OR)(2)}](+)(M = Ge, Sn, and Pb)

Synthesis and photophysical properties of trimetallic acetylide complexes with a 1,3,5-triazine core

Synthesis, characterization and crystal structures of new ruthenium carbonyl clusters derived from (9-anthracenyl)diphenylphosphine

Theoretical studies of cycloaddition reactions of cationic aluminum beta-diketiminate alkyl complexes with alkenes and alkynes

Trans influence of boryl ligands and comparison with C, Si, and Sn ligands

beta-Hydrogen Elimination of Five-Membered-Ring Metallocycles

Dimerization of Terminal Alkynes Mediated by Ruthenium Complexes

H/D Exchange Between Deuterium Oxide and Organic Compounds Mediated by Ruthenium Hydride Complexes

Reactions of norbornadiene-dihydrogen complexes

A nonacoordinated bridging selenide in a tricapped trigonal prismatic geometry identified in undecanuclear copper clusters: Syntheses, structures, and DFT calculations

An unusual exchange between alkylidyne alkyl and bis(alkylidene) tungsten complexes promoted by phosphine coordination: Kinetic, thermodynamic, and theoretical studies

beta-Hydrogen elimination of five-membered-ring metallacycles. Is it possible?

Isomerism of [Ru(eta(3)-allyl)Cl(CO)(PPh3)(2)]

New halide-centered discrete Ag-^l₈ cubic clusters containing diselenophosphate ligands, {Ag₈(X)[Se₂P(OR)₂]₆}(PF₆) (X = Cl, Br; R = Et, Pr, ^ir): Syntheses, structures, and DFT calculations

Reactions of hydroborating reagents with phosphinorhodium hydride complexes: molecular structures of a Rh2B3 metallaborane cluster, an L2Rh(eta(2)-H2BR2) complex and a mixed valence Rh dimer containing a semi-bridging Bcat (cat=1,2-O2C6H4) group

Reactions of hydrotris(pyrazolyl)borate (Tp)-supported ruthenium dihydrogen complexes [TpRu(L-2)(H-2)](+) (L-2 = dppm, dppp, (PPh3)(2)) with O-2

Structural analysis of five-coordinate transition metal boryl complexes with different d-electron configurations

Synthesis, structures and luminescent properties of sigma-alkynyl complexes of orthomercuriated Schiff bases

Theoretical investigation of C-H/olefin coupling catalyzed by zirconium(IV) complexes

Theoretical study of reaction pathways for the rhodium phosphine-catalysed borylation of C-H bonds with pinacolborane

Zirconium, hafnium, and tantalum amide silyl complexes: Their preparation and conversion to metallaheterocyclic complexes via gamma-hydrogen abstraction by silyl ligands

Computational Studies of Transition Metal Mediated C-C Coupling Reactions

Unusual Bonding in a Rhodium-bismuth Complex

Accurate molecular structures of 16-electron rhodium hydrido boryl complexes: Low-temperature single-crystal x-ray and neutron diffraction and computational studies of [(PR3)(2)RhHCl(Boryl)] (Boryl = Bpin, Bcat)

Activation of Tri(2-furyl)Phosphine by [Ru₄(μ-H) ₄(CO)₁₂]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters

Carbon-rich organometallic materials derived from 4-ethynylphenylferrocene

C-H bond activation by a hydrotris(pyrazolyl)borato ruthenium hydride complex

Comparative study on the reactivity of H-2, PhCH=CH2, and PhC=CMe with [Cp{*}Ru(H2O)(NBD)](+)

Cp2ZrCH(SiMe3)CCCH(SiMe3): A five-membered 1-zirconacyclopent-3-yne?

Density functional theory studies of ruthenium-catalyzed bis-Diels-Alder cycloaddition of 1,5-cyclooctadiene with alkynes

Density functional theory studies on structural isomers and bonding of catecholborane adducts of Group 5 metallocene (Nb, Ta) hydride complexes

Dihydrogen-bond-promoted catalysis: Catalytic hydration of nitriles with the indenylruthenium hydride complex (eta(5)-C9H7)Ru(dppm)H (dppm = bis(diphenylphosphino)methane)

Formation of a palladium (ii) complex of 2-(2-pyridinylmethyleneamino)-2′-hydroxy-1, 1′-binaphthyl with novel C σ-coordination and its theoretical investigation

Functionalization of 9-(Dicyanomethylene)fluorene derivatives with substituted acetylenes

Ligand substitution in cubic clusters: Surprising isolation of the cocrystallization products of Cu-8(mu(8)-Se)[S2P(OEt)(2)](6) and Cu-6[S2P(OEt)(2)](6)

Protonation and bromination of an osmabenzyne: Reactions leading to the formation of new metallabenzynes

Reactions of dihydrogen(norbornadiene) complexes

Structural and stability studies of titanocene borane sigma-complexes

Supramolecular interactions between fullerenes and porphyrins

Syntheses, structures, photoluminescence, and theoretical studies of a novel class of d(10) metal complexes of 1H-[1,10]phenanthrolin-2-one

Synthesis and characterization of pentaarylated [60]fullerene coordinated complexes [(eta(2)-Ar5C60H)M(PPh3)(2)] (M =Pt, Pd) and an ab initio study on their isomerism

Synthesis and structural characterization of a novel dodecaosmium carbonyl cluster [Os-12(CO)(30)] derived from a new mu(4)-Oxo hexaosmium carbonyl cluster [Os-6(CO)(16)(mu(4)-O)(mu-OH)(2)(mu-CO)(2)]

Synthesis and structural characterization of a triosmium carbonyl cluster containing a 9-anthracenecarbonitrile ligand derived from 9-anthraldehyde oxime

Synthesis, characterization, and theoretical studies of group 4 amido hydrotris(pyrazolyl)borate complexes

Synthesis, structure, and bonding of a zirconocene-1,2-dehydro-o-carborane complex

The first example of tetraosmium carbonyl clusters containing (mu(3)-NH) nitrene ligands: Syntheses and crystal structures

The molecular structure of [Os3Rh4(mu(3)-eta(1):eta(1):eta(1)-C6H5CH3)(CO)(13)]: A face-capping bonding mode for arenes in organometallic clusters

Theoretical studies on the metathesis processes, [Tp(PH3)MR(eta(2)-H-CH3)]->[Tp(PH3)M(CH3)(eta(2)-H-R)] (M = Fe, Ru, and Os; R = H and CH3)

Theoretical studies on the stabilities of metallabenzynes

Understanding the reactivity difference of metal boryl complexes toward alkanes and arenes: A density functional study on the functionalizations of methane and benzene by CpM(CO)(n)(BO2C2H2) (M = Fe, Ru, W)

Density Functional Theory Studies of Transition Metal Complexes Having Unusual Bonding Characteristics

Theoretical Studies on the Stability of Metallabenzynes

Bis(alkynyl) mercury(II) complexes of oligothiophenes and bithiazoles

Density functional theory studies of titanium-catalyzed hydroboration of olefins

Electronic structures of electron-rich octahedrally condensed transition-metal chalcogenide clusters

Silyl-substituted alkylidenes: preparation of the novel complexes and mechanistic studies of their formation from reactions of alkylidenes with silanes and silyl-to-alkylidyne migration

Structural and bonding characteristics in transition metal-silane complexes

Syntheses, structures and photophysical properties of metal carbonyl clusters with dansyl and acridone luminophores

Synthesis and characterization of dihydrogen(olefin)osmium complexes with (E)-Ph2P(CH2)(2)CH=CH(CH2)(2)PPh2

Synthesis and protonation of [RuH(NBD)(2,6-(Ph2PCH2)(2)C6H3)]

Synthesis, characterization and theoretical studies of new heterometallic carbonyl clusters bridged by 4,4 `-dipyridyl unit

Synthesis, structures and optical spectroscopy of photoluminescent platinum-linked poly(silylacetylenes)

The photodissociation of N,N-dimethylformamide: A complete active space self-consistent field study

Theoretical studies on the β-hydrogen elimination reactions of palladium and platinum alkoxide complexes containing bidentate ligands

Understanding the electron counts of aluminum metalloid clusters

Transition Metal Catalyzed Borations

Binuclear gold(I) and mercury(II) derivatives of diethynylfluorenes

Geometric features and electronic structures of six-coordinated dialkyl and dithiolate complexes of osmium(IV) porphyrins

Magnetic exchange interactions in oxo-bridged diiron(III) systems: Density functional calculations coupling the broken symmetry approach

Minimum Energy Structure of Hydridotris(pyrazolyl)borato Iridium(V) Tetrahydride Is Not a C^3vCapped Octahedron

Novel cationic selenium-cluster nitride species [SenN]+ (n=1-11) formed by laser ablation of a Se target in the presence of N-2

Promoting effect of water in ruthenium-catalyzed hydrogenation of carbon dioxide to formic acid

Protonation reactions of [MH(Cl)(PPh3)(2)(norbornadiene)] (M = Ru, Os)

Ruthenium-cobalt mixed-metal nitrido and nitrene carbonyl clusters: Structure, reactivity, and ¹⁵N NMR spectroscopy

Structural preference in complexes containing both double-face and single-face pi-acceptor ligands

Synthesis, characterisation, crystal structures, reactivity, and electrochemistry of ruthenium-nitrido, ruthenium-cobalt-imido and ruthenapyrrolidone carbonyl clusters containing alkyne ligands

Synthesis, Structural Characterization, Solvatochromism, and Electrochemistryof Tetra-Osmium Carbonyl Clusters Containing Azo-Ligands

Synthesis, structures and properties of platinum( II) complexes of oligothiophene-functionalized ferrocenylacetylene

A new approach to the distortion of the tetrahedral geometry at E in the E(ZXY(2))(4) compounds

Bonding Analysis of Titanocene Borane σ-Complexes

Bonding studies of dinuclear transition metal bis(mu-eta(2)-silane) complexes [LnM(mu-eta(2)-HSiR2)](2) by density functional theory

Chiroptical properties of poly(phenylacetylene)s: Experimental observation and theoretical calculation

Protonation of [tpmRu(PPh3)(2)H]BF4 [tpm = tris(pyrazolyl)methane] - Formation of unusual hydrogen-bonded species

Reactions of MH(OTf)(NBD) (PPh3)(2) (M = Ru, Os) with H-2

Solvothermal synthesis of a stable coordination polymer with copper-I-copper-II dimer units: [Cu-4{1,4-C6H4(COO)(2)}(3)(4,4 `-bipy)2](n)

Synthesis, structure, and bonding of d(0)/f(n) metallacarboranes incorporating the eta(7)-carboranyl ligand

Theoretical studies of rotational barriers of vinylidene ligands in the five-coordinate complexes M(X)Cl(=C=CHR)L-2 (M = Os, Ru; L = phosphine)

Understanding the readiness of silane dissociation in transition metal eta(2)-silane complexes Cp(CO)(2)M[eta(2)-H(SiH3-nCln)] (M = Mn, Tc, and Re; n=1-3)

Unexpected formation of osmium carbyne and vinylidene complexes from the reaction of OsCl2(PPh3)(3) with HC CCMe3

Experimental and theoretical studies of highly fluxional TpRu(PPh3)''H2SiR3'' complexes (Tp = hydridotris(pyrazolyl)borate)

Stability of the trans-bis(H center dot center dot center dot Si) structure in the complex RuH2(PCy3)(2)(kappa-eta(2)-H center dot center dot center dot SiMe2-o-C6H4-SiMe2 center dot center dot center dot H), studied by density functional theory

Structural preferences in eta(2)-alkenyl transition-metal complexes ML5(eta(2)-alkenyl) and MCpL2(eta(2)-alkenyl)

Synthesis and electrochemical properties of C5H-bridged bimetallic iron, ruthenium, and osmium complexes

Theoretical studies of the acidity of the dihydrogen complexes trans-[LM(H2PCH2CH2PH2)(2)(eta(2)-H-2)](n+)

Theoretical studies of the relative stabilities of transition metal alkylidyne (CH3)(2)M( CH)(X) and bis(alkylidene) (CH3)M(= CH2)(2)(X) complexes

Application of the orbital deletion procedure (ODP) to planar carbocations

Peculiar hydride-silyl interactions in group 5 bent metallocene complexes, studied by ab initio calculations

Structure and bonding analysis of some xenophilic transition metal clusters

Understanding nonlinearity in multiply-bonded digallium molecules

Understanding the preference for the coplanarity of alkenyl and carbonyl ligands in eta(1)-alkenyl transition-metal complexes: A simple molecular orbital approach and ab initio calculations

Unusual five-center, four-electron bonding in a rhodium-bismuth complex with pentagonal-bipyramidal geometry

Analysis of the Bonding in [Ni-5(mu(5)-S)(mu(2)-SR)(5)](-), an Unprecedented Pentanuclear Sulfide Cluster

Competing metal-pi-acetylene and metal-sigma-(H-Si) interactions in the complex Ti(eta(5)-C5H5)(2)(eta(2)-trans-RC CSiHR(2))

Metal-metal interactions in transition metal clusters with π-donor ligands

Quantitative evaluation of hyperconjugation in the cyclopropylcarbinyl cation and in cyclopropylborane

Bond-distorted orbitals and effects of hybridization and resonance on C-C bond lengths

Delocalization in allyl cation, radical, and anion

Influence of structure and composition on linear and nonlinear optical properties of clusters: A case study on clusters (n-Bu(4)N)(3)[MS(4)M'(3)XX'(3)], MS(4)M'(3)X(PPh(3))(3), and (n-Bu(4)N)(2)[MOS(3)M'(3)X'(3)] (M=Mo, W; M'=Cu, Ag; X=Cl, Br; X'=Cl, Br, I, SCN)

Metal-Silane Interaction in the Novel Pseudo-Octahedral Silane Complexes cis-Mo(CO)(PH₃)₄(H---SiH₃) and Some Related Isomers: An ab Initio Study

Novel intermolecular C-H pi interactions: An ab initio and density functional theory study

Organo-template control of inorganic structures: A low-symmetry two-dimensional sheet aluminophosphate3[NH(3)CHMeCH(2)NH(3)][Al6P8O32]center dot H2O

Phosphorus-cluster cations produced by laser ablation of red phosphorus

Stereochemistry of seven-coordinate main group and d(0) transition metal molecules

Structure and bonding in face- and edge-bridged octahedral transition metal clusters

Syntheses, structures and reactivities of [Os6Pd(CO)(18)(bipy)] and [{(bipy)Pd}(2)Os-3(CO)(12)]: Crystal and molecular structures of [{(bipy)Pd}(2)(mu-H)(mu-CO)][H3Os4(CO)(12)] and [(C4H9)(4)N](2)[Pd2I6]

Theoretical study of conjugation, hyperconjugation, and steric effect in B2D4 (D=H, F, OH, NH2, and CH3)

Theoretical study of metal-tetrahydroborato ligand interactions in [Y(THF)(4)(BH4)2](+)

Transition metal tetrahydroborato complexes: An orbital interaction analysis of their structure and bonding

Two-photon ionization studies of binary aromatic van der Waals clusters: Benzene ... chlorobenzene and (chlorobenzene)(2)

Closed-shell Electronic Requirements for small fullerene cage structures

Experimental and theoretical-studies of small homoatomic phosphorus clusters

Structure and bonding studies of ClX-C²H⁴ (X = H or Br) van der Waals complexes

Integrated NMR and Ab initio study of acetonitrile in zeolites: A reactive complex model of zeolite acidity

Stabilities of Metallacyclobutadiene and Metallatetrahedrane Complexes

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 8. Hydrogen Exchange in the β-agostic Ethylene Complexes of Cyclopentadienyl Rhodium

Transition Metal Polyhydride Complexes 7. Classical and Nonclassical Structures of [ReH4(CO)(PR3)3]+

Transition Metal Polyhydride Complexes, A Theoretical View

A group theoretical analysis on transition-metal complexes with metal-liagand multiple bonds

Geometric distortions in four-legged piano-stool cyclopentadienyl transition-metal complexes

Structure and Bonding in Chain-like Polyhalonium cations and Polyhalide Anions

Structure and Bonding in Cyclic Tetrameric Selenium-Nitrogen and Phosphorus-Nitrogen Systems. A comparative View

Theoretical Studies on the Stability of M8C12 Clusters

Transition Metal Polyhydride Complexes 6. CpML6-nHn (n=4-6) Complexes

Unusual Attractive Interactions between Selenium and Oxygen in Selenaiminoquinones

Electron density analysis on the transition states of substitution reactions of 17- and 18-electron hexacarbonyl complexes

The Structure and Bonding in M8C12 Clusters

Theoretical studies of inorganic and organometallic reaction mechanisms. 5. Substitution reactions of 17- and 18-electron transition-metal hexacarbonyl complexes

Transition metal polyhydride complexes 2. Theoretical methods for the determination of stabilities of classical and nonclassical isomers

Transition metal polyhydride complexes 3. The stabilities of classical and nonclassical Hydrides

Transition metal polyhydride complexes. 4. Highly stable nonclassical isomers with octahedral structures

Transition Metal Polyhydride Complexes. 5. Complexes with a Cyclopentadienyl Ligand

Closed-Shell Electronic Requirements for Condensed Clusters of the Group 11 Elements

Closed-shell electronic structures for linear LnMXMLn dinuclear transition metal complexes

Hydride locations and bonding studies in some silyl polyhydride rhenium complexes

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 2. The Trans Effect in Square-Planar Platinum(II) and Rhodium(I) Substitution Reactions

A structural jellium model of cluster electronic structure

Bonding models for ligated and bare clusters

Clusters in inorganic and molecular beam chemistry, some unifying principles

Hybridization scheme for coordination and organometallic compounds

A group theoretical paradigm for describing the skeletal molecular orbitals of cluster compounds. Part 3

Polyhedral skeletal electron pair theory of bare clusters 1: small silicon clusters

Site preference effects in heterometallic clusters

Skeletal rearrangements in clusters. 2

Structural consequences of the jellium model for alkali metal clusters

The tensor surface harmonic-equivalent orbital model for bonding in polyhedral cluster molecules

Non-bonding orbitals in co-ordination, hydrocarbon and cluster compounds

A theoretical analysis of high nuclearity metal carbonyl clusters

Group theoretical paradigm for defining the non-bonding molecular orbitals

Molecular orbital analysis of some carbonyl cluster compounds with close-packed metallic arrangements

The bonding rules of Mo-Fe-S cluster compounds

Theoretical analysis of cluster compounds with cylindrical topologies

The bonding properties of molybdenum-iron-sulfur clusters

1,2,3-Diazaborinine: A BN Analogue of Pyridine Obtained by Ring Expansion of a Borole with an Organic Azide

Article

4-Coordinated, 14-electron ruthenium(II) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl₂ and organic azides

Article

Access to Metal-Bridged Osmathiazine Derivatives by a Formal [4+2] Cyclization

Article

DFT Studies on Metal-Controlled Regioselective Amination of N-Acylpyrazoles with Azodicarboxylates

Article

DFT Studies on the Mechanism of Copper-Catalyzed Boracarboxylation of Alkene with CO2 and Diboron

Article

Hydroalkynylation of Enamides Using Iridium or Rhodium Complexes: DFT Study on the Mechanism and Regioselectivity

Article

Inter-ligand delocalisations in transition metal complexes containing multiple non-innocent ligands

Article

Organocatalytic Enantioselective Functionalization of Unactivated Indole C(sp³)−H Bonds

Article

Reactivity of Highly Lewis-Acidic Diborane(4) toward C≡N and N=N Bonds: Uncatalyzed Addition and N=N Bond-Cleavage Reactions

Article

Remote Bonding in Clusters [Pd₃Ge₁₈R₆]^2-: Modular Bonding Model for Large Clusters via Principal Interacting Orbital Analysis

Article

Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems

Article

Site-specific Allylic C-H Bond Functionalization With a Copper-bound N-centred Radical

Article

Substituent Effects on Reactions of [RhCl(COD)]₂ with Diazoalkanes

Article

Successive Modification of Polydentate Complexes Gives Access to Planar Carbon- and Nitrogen-based Ligands

Article

Synthesis, Structure and DFT Calculations of Mononuclear Cyclic (alkyl)(amino) Carbene Supported Titanium(II) Complexes

Article

Boryls, Their Metal Complexes and Catalysis - Theoretical and Computational Insights

Conference paper

Unravelling chemical interactions with Principal Interacting Orbital (PIO) analysis

Conference paper

Unravelling chemical interactions with Principal Interacting Orbital (PIO) analysis

Conference paper

A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)₂}₂]- applied to some challenging resolutions

Article

DFT Studies on the Reactions of Boroles with Alkynes

Article

Divergent Synthesis of CF₃-Substituted Allenyl Nitriles by Ligand-Controlled Radical 1,2-and 1,4-Addition to 1,3-Enynes

Article

Facile synthesis of polycyclic metallaarynes

Article

Isolation and Enantiostability of the B-chiral Bis(salicylato) Borate Anions [B_R(Sal)₂] and [B_S(Sal)₂]

Article

Mechanistic Studies on the Palladium-catalyzed Cross-dehydrogenative Coupling of 4-phenoxy-2-coumarins: Experimental and Computational Insights

Article

NHC-Catalyzed Electrophilic Trifluoromethylation: Efficient Synthesis of γ-Trifluoromethyl α,β-Unsaturated Esters

Article

Reaction of B₂(o-tol)₄ with CO and Isocyanides: Cleavage of the C O Triple Bond and Direct C-H Borylations

Article

Rhenium-Promoted C−C Bond-Cleavage Reactions of Internal Propargyl Alcohols

Article

Syntheses and Structures of Ruthenium Complexes Containing a Ru-H-Tl Three-Center-Two-Electron Bond

Article

Syntheses of Re(V) Alkylidyne Complexes and Ligand Effect on the Reactivity of Re(V) Alkylidyne Complexes Toward Alkynes

Article

Theoretical Investigations on The Unsymmetrical Effect of β-link Zn-porphyrin Sensitizers on The Performance for Dye-sensitized Solar Cells

Article

Theoretical Studies on Pd(II)-Catalyzed meta-Selective C-H Bond Arylation of Arenes

Article

Transition Metal-Free Trans Hydroboration of Alkynoic Acid Derivatives: Experimental and Theoretical Studies

Article

Transition-Metal-Like Behavior of Monovalent Boron Compounds: Reduction, Migration, and Complete Cleavage of CO at a Boron Center

Article

Unravelling chemical interactions with Principal Interacting Orbital analysis

Article

Transition Metal Catalyzed Reactions of Carbon Dioxide - Computational Insight

Conference paper

Unravelling chemical interactions with Principal Interacting Orbital (PIO) analysis

Conference paper

X-Ligand Effects on Alkyne Insertion Reactions of Ruthenium Hydride Complexes

Conference paper

A Computational Way to Achieve More Effective Candidates for Photodynamic Therapy

Article

Abnormal Tin-Boron Exchange in the Attempted Synthesis of a Borylated Borole

Article

Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines

Article

Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4)

Article

Color-Tuning Strategy for Iridapolycycles [(N∧N)Ir(C∧C)ClPPh3]+ by the Synergistic Modifications on Both the C∧C and N∧N Units

Article

Computational Studies on Rhodium(III) Catalyzed C-H Functionalization versus Deoxygenation of Quinoline N-Oxides with Diazo Compounds

Article

Copper(I)-Catalyzed Asymmetric Desymmetrization through Inverse-Electron-Demand aza-Diels–Alder Reaction: Efficient Access to Tetrahydropyridazines Bearing a Unique α-Chiral Silane Moiety

Article

DFT Studies of Dimerization Reactions of Boroles

Article

DFT Studies of Ru-Catalyzed C-O versus C-H Bond Functionalization of Aryl Ethers with Organoboronates

Article

DFT Studies on Reactions of Boroles with Carbon Monoxide

Article

Enantioselective Copper-Catalyzed Intermolecular Amino- and Azidocyanation of Alkenes in a Radical Process

Article

Enantioselective Decarboxylative Cyanation Employing Cooperative Photoredox Catalysis and Copper Catalysis

Article

Enantioselective Palladium-Catalyzed Oxidative Cascade Cyclization of Aliphatic Alkenyl Amides

Article

Localized bonding model for coordination and cluster compounds

Article

Organocatalytic Synthesis of Chiral Tetrasubstituted Allenes from Racemic Propargylic Alcohols

Article

Reactions of (Cyclopentadienylidenehydrazono)triphenylphosphorane with Chlororuthenium(II) Complexes and Substituent Effect on the Thermodynamic Trend in the Migratory-Insertion Reactions of Chlororuthenium-Alkylidene Complexes

Article

Reactions of Isocyanides with Metal Carbyne Complexes: Isolation And Characterization of Metallacyclopropenimine Intermediates

Article

Reactions of Osmium Carbyne Complexes OsCl3( CR)(PPh3)(2) (R = CH=CPh2, CH2Ar) with Bromine and Hydrogen Peroxide

Article

Regioselective Synthesis of Polycyclic and Heptagon-embedded Aromatic Compounds through a Versatile π-Extension of Aryl Halides

Article

Structure and Bonding of [Pd₂Sn₁₈]⁴⁻: An Interesting Example of the Mutual Delocalisation Phenomenon

Article

Synthesis and Reactivities of Polyhydrido Osmium Arylsilyl Complexes Prepared from OsH₃Cl(PPh₃)₃

Article

Synthesis, structure and reactivity of a borylene cation [(NHSi)2B(CO)]+ stabilized by three neutral ligands

Article

A Potassium Diboryllithate: Synthesis, Bonding Properties, and the Deprotonation of Benzene

Article

Alkyne Metathesis Reactions of Rhenium(V) Carbyne Complexes

Article

An [Au₁₃]⁵⁺ Approach to the Study of Gold Nanoclusters

Article

Antimicrobial and toxicological evaluations of binuclear mercury(ii)bis(alkynyl) complexes containing oligothiophenes and bithiazoles

Article

Conjugated Oligothiophene Derivatives Based on Bithiophene with Unsaturated Bonds as Building Blocks for Solution-Processed Bulk Heterojunction Organic Solar Cells

Article

Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes₂

Article

Fully Borylated Methane and Ethane by Ruthenium-Mediated Cleavage and Coupling of CO

Article

Metal-Free Borylation of Electron-Rich Aryl (Pseudo) Halides under Continuous-Flow Photolytic Conditions

Article

Preparation of all N-coordinated zirconium amide amidinates and studies of their reactions with dioxygen and water

Article

Preparation of Osmium η³-Allenylcarbene Complexes and Their Uses for the Syntheses of Osmabenzyne Complexes

Article

Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex

Article

Regioselective and Stereospecific Copper-Catalyzed Deoxygenation of Epoxides to Alkenes

Article

Ring Contraction of a Pinacolatoboryl Group To Form a 1,2-Oxaboretane Ring: Reaction of Unsymmetrical Diborane(4) with 2,6-Dimethylphenyl Isocyanide

Article

Synthesis and Characterization of Dirhenadehydro[12]annulenes

Article

Synthesis and fluxional behaviour of novel chloroborole dimers

Article

Synthesis and Structural Characterization of Carbene-Stabilized Carborane-Fused Azaborolyl Radical Cation and Dicarbollyl-Fused Azaborole

Article

Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)₃]I with Terminal Alkynes and Alkynols

Article

Unique properties of C, C '-linked nido-biscarborane tetraanions. Synthesis, structure and bonding of ruthenium monocarbollide via unprecedented cage carbon extrusion

Article

Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination

Article

Addition reaction of o-carboranyllithium with nitrile: Formation of a stable zwitterionic iminium salt with a carborane tether

Article

An Aggregation-Induced Emission-Active Macrocycle: Illusory Topology of the Penrose Stairs

Article

Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution

Article

Catalytic Enantioselective Intermolecular Desymmetrization of Azetidines

Article

Computational Insight into Nickel-Catalyzed Carbon-Carbon versus Carbon-Boron Coupling Reactions of Primary, Secondary, and Tertiary Alkyl Bromides

Article

DFT Studies on Structures, Stabilities, and Electron Affinities of closo-Supercarboranes C2Bn-2Hn (n=13-20)

Article

Electron counting approach to the structure and bonding of sandwiched low dimensional palladium clusters

Article

Exoselective 1,3-Dipolar [3+6] Cycloaddition of Azomethine Ylides with 2-Acylcycloheptatrienes: Stereoselectivity and Mechanistic Insight

Article

Gold(III)-Catalyzed Intramolecular Cyclization of α-Pyrroles to Pyrrolopyridinones and Pyrroloazepinones: A DFT Study

Article

Highly Efficient Tetradentate Ruthenium Catalyst for Ester Reduction: Especially for Hydrogenation of Fatty Acid Esters

Article

Lowering the Reduction Potential of a Boron Compound by Means of the Substituent Effect of the Boryl Group: One-Electron Reduction of an Unsymmetrical Diborane(4)

Article

Mechanistic Insight into the Gold-Catalyzed Carboxylative Cyclization of Propargylamines

Article

Organocatalytic Asymmetric Synthesis of 1,1-Diarylethanes by Transfer Hydrogenation

Article

Peeling the onion: a revised model of the electron count for matryoshka clusters

Article

Reactions of Osmabenzene with Silver/Copper Acetylides: From Metallabenzene to Benzene

Article

Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes

Article

Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne

Article

Rhodium(III)-Catalyzed Hydrazine-Directed C-H Activation for Indole Synthesis: Mechanism and Role of Internal Oxidant Probed by DFT Studies

Article

Ruthenium-Catalyzed Deuteration of Alcohols with Deuterium Oxide

Article

Supercarborane Radical Anions with 2n+3 Electron Counts: A Combined Experimental and Theoretical Study

Article

Synthesis of aromatic aza-metallapentalenes from metallabenzene via sequential ring contraction/annulation

Article

Synthesis, Characterization and Crystal Structures of Some Metal Carbonyl Linking Clusters of Osmium, Ruthenium and Cobalt Derived from Diethynylarenes

Article

Synthesis, Structure, and Reactivity of Anionic sp(2)-sp(3) Diboron Compounds: Readily Accessible Boryl Nucleophiles

Article

The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(i) compound

Article

Zinc-Catalyzed Dual C-X and C-H Borylation of Aryl Halides

Article

Lewis Description of Bonding in Transition Metal Complexes

Book chapter

A green catalysis of CO₂ fixation to aliphatic cyclic carbonates by a new ionic liquid system

Article

A Tetravalent Cerium Complex Containing a Ce=O Bond

Article

Computational Insight into the Mechanism of Nickel-Catalyzed Reductive Carboxylation of Styrenes using CO2

Article

DFT studies on the mechanism of palladium-catalyzed carbon-silicon cleavage for the synthesis of benzosilole derivatives

Article

Dithieno[3,2-b:2′,3′-d]pyran-containing organic D-π-A sensitizers for dye-sensitized solar cells

Article

Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent

Article

Insight into Reaction Mechanism of [2+2+1] Cross-Cyclotrimerization of Carboryne with Alkene and Trimethylsilylarylalkyne Mediated by Nickel Complex

Article

Iridium-catalyzed C-H borylation of pyridines

Article

Mechanism for the Carboxylative Coupling Reaction of a Terminal Alkyne, CO2, and an Allylic Chloride Catalyzed by the Cu(I) Complex: A DFT Study

Article

Pd-catalysed Intramolecular Regioselective Arylation of 2-pyrones, Pyridones, Coumarins and Quinolones by C-H bond Functionalization

Article

Reactivities and Electronic Properties of Boryl Ligands

Article

Ruthenium(II) Photosensitizers with Electron-Rich Diarylamino-Functionalized 2,2 '-Bipyridines and Their Application in Dye-Sensitized Solar Cells

Article

Structural Revision of Cephalosporolide J and Bassianolone

Article

Synthesis and characterization of MH⋯HOR dihydrogen bonded ruthenium and osmium complexes (η⁵-C₅H₄CH₂OH)MH(PPh₃)₂ (M = Ru, Os)

Article

Synthesis of Rhenabenzenes from the Reactions of Rhenacyclobutadienes with Ethoxyethyne

Article

Synthesis, Characterization, and Electroluminescent Properties of Iridium(III) 2-Phenylpyridine-type Complexes Containing Trifluoromethyl Substituents and Various Main-Group Moieties

Article

Theoretical Studies on the Regioselectivity of Iridium-Catalyzed 1,3-Dipolar Azide-Alkyne Cycloaddition Reactions

Article

Understanding the reaction mechanisms of Pd-catalysed oxidation of alcohols and domino oxidation–arylation reactions using phenyl chloride as an oxidant

Article

Understanding the Reactivity Difference of Isocyanate and Isothiocyanate toward a Ruthenium Silylene Hydride Complex

Article

Theoretical Insights into Transition Metal Catalyzed Reactions of Carbon Dioxide

Book chapter

Boryl Ligands and Their Roles in Metal-Catalyzed Borylation Reactions

Conference paper

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO2 and Hydrosilanes

Conference paper

A Remarkable cis- and trans-Spanning Dibenzylidene Acetone Diphosphine Chelating Ligand (dbaphos)

Article

Bis(sulfonylimide)ruthenium(VI) Porphyrins: X-ray Crystal Structure and Mechanism of CH Bond Amination by Density Functional Theory Calculations

Article

Bulky dendritic triarylamine-based organic dyes for efficient co-adsorbent-free dye-sensitized solar cells

Article

cine-Substitution Reactions of Metallabenzenes: An Experimental and Computational Study

Article

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO₂ and Hydrosilanes

Article

DFT studies on the mechanisms of palladium-catalyzed intramolecular arylation of a silyl C(sp3)-H bond

Article

DFT Studies on the Palladium-Catalyzed Dearomatization Reaction between Chloromethylnaphthalene and the Cyclic Amine Morpholine

Article

Effects of substituents on the formation of rhenium carbyne and η²-vinyl complexes from the reactions of ReH₅(PMe₂Ph)₃ with terminal alkynes

Article

Key Intermediates of Iodine-Mediated Electrophilic Cyclization: Isolation and Characterization in an Osmabenzene System

Article

Metallophosphors of iridium(III) containing borylated oligothiophenes with electroluminescence down to the near-infrared region

Article

Theoretical Studies of Ring-Opening Reactions of Phenylcyclobutabenzenol and Its Reactions with Alkynes Catalyzed by Rhodium Complexes

Article

Theoretical Studies on Nickel-Catalyzed Cycloaddition of 3-Azetidinone with Alkynes

Article

Cu(I)/TF-BiphamPhos Catalyzed Reactions of Alkylidene Bisphosphates and Alkylidene Malonates with Azomethine Ylides: Michael Addition versus 1,3-Dipolar Cycloaddition

Article

DFT studies on copper-catalyzed arylation of aromatic C-H bonds

Article

DFT Studies on Gold-Catalyzed Cycloisomerization of 1,5-Enynes

Article

DFT Studies on the Mechanisms of the Platinum-Catalyzed Diboration of Acyclic alpha,beta-Unsaturated Carbonyl Compounds

Article

DFT studies on the reaction of CO2 with allyl-bridged dinuclear palladium(I) complexes

Article

Enantioselective Synthesis of beta,gamma-Unsaturated alpha-Fluoroesters Catalyzed by N-Heterocyclic Carbenes

Article

Hydrogen Shift Reactions of Rhenium Hydrido Carbyne Complexes

Article

Iridium-catalyzed C-H borylation of quinolines and unsymmetrical 1,2-disubstituted benzenes: insights into steric and electronic effects on selectivity

Article

Mechanism of the MeReO3-Catalyzed Deoxygenation of Epoxides

Article

Selective Formation of 1,4-Disubstituted Triazoles from Ruthenium-Catalyzed Cycloaddition of Terminal Alkynes and Organic Azides: Scope and Reaction Mechanism

Article

Spectroscopic and structural characterization of the CyNHC adduct of B 2pin 2 in solution and in the solid state

Article

Synthesis and characterization of 11-vertex platinaborane compounds having nido-PtB 10H 12 and nido-Pt 2B 9H 10 skeletons

Article

Synthesis and Characterization of a Metallapyridyne Complex

Article

Synthesis and Characterization of Rhenabenzyne Complexes

Article

Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl₂(OEt)(PPh₃)₂ with Alkynols

Article

Synthesis, Characterization and Structural Properties of Some Heterobimetallic Carbonyl Clusters Derived from Diethynylsilane and Diethynyldisilane Ligands

Article

The structure of Silicate Ions in C-S-H discussed from chemical composition

Article

Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes

Article

Thermal and photochemical reactions of azidoruthenium(III) complexes of macrocyclic tertiary amines and the structure of the (phosphoraniminato) ruthenium(III) complex trans-[Ru(14-TMC)(N3)(NPPh3)] +

Article

Reactivities and Electronic Properties of Boryl Ligands

Conference paper

Reactivities and Electronic Properties of Boryl Ligands in Organometallic Reactions

Conference paper

2,6-Diisopropoxyphenyl(dicyclohexyl) phosphine: A New Ligand for Palladium-Catalyzed Amination Reactions of Aryl Chlorides with Potassium Hydroxide as the Base

Article

Conversion of Metallabenzynes into Carbene Complexes

Article

Copper-mediated reduction of CO2 with pinB-SiMe2Ph via CO2 insertion into a copper-silicon bond

Article

DFT Studies on Reactions of CO2 with Niobium and Vanadium Nitride Complexes

Article

Electrophilic substitution reactions of metallabenzynes

Article

Exchange coupling through diamagnetic [Fe(CO)(4)](2-) bridging ligands in a xenophilic cluster

Article

Light-emitting dyes derived from bifunctional chromophores of diarylamine and oxadiazole Synthesis, crystal structure, photophysics and electroluminescence

Article

Mechanism of silver- and copper-catalyzed decarboxylation reactions of aryl carboxylic acids

Article

Mechanisms of Reactions of a Lithium Boryl with Organohalides

Article

Synthesis and Characterization of a Rhenabenzyne Complex

Article

Theoretical study on the rearrangement of metallabenzenes to cyclopentadienyl complexes

Article

Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of Bu(t)N=Ta(NMe(2))(3) with silanes

Article

A DFT study on the Rhenabenzene Complexes

Conference paper

Interplay between Theory and Experiment: Computational Organometallic and Transition Metal Chemistry

Conference paper

Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction

Article

DFT studies on the carboxylation of arylboronate esters with CO2 catalyzed by copper(I) complexes

Article

Dialkylamino cyclopentadienyl ruthenium(II) complex-catalyzed alpha-alkylation of arylacetonitriles with primary alcohols

Article

Hydrogen/Deuterium Exchange Reactions of Olefins with Deuterium Oxide Mediated by the Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) Complex

Article

Interplay between Theory and Experiment: Computational Organometallic and Transition Metal Chemistry

Article

Mechanism of the Palladium-Catalyzed Borylation of Aryl Halides with Pinacolborane

Article

Metallophosphors of platinum with distinct main-group elements: a versatile approach towards color tuning and white-light emission with superior efficiency/color quality/brightness trade-offs

Article

Nonclassical ruthenium silyl dihydride complexes TpRu(PPh ₃)(η³-HSiR₃H) [Tp = hydridotris(pyrazolyl)borate]: Catalytic hydrolytic oxidation of organosilanes to silanols with TpRu(PPh₃)(η³-HSiR ₃H)

Article

Rhenium Carbyne and η²-Vinyl Complexes from One-Pot Reactions of ReH₅(PMe₂Ph)₃ with Terminal Alkynes

Article

Stifle Cross-Coupling Reactions of Alkenylstannanes with Alkenyl Iodides Mediated by Copper(I) Thiophene-2-carboxylate: A Density Functional Study

Article

Synthesis and Characterization of Rhenabenzenes

Article

Synthesis, Characterization and Crystal Structures of Some Linked Metal Carbonyl Clusters Derived from Diethynyl-Substituted Silane and Disilane Ligands

Article

The reaction of carboxylic acid esters with R_fMgBr: A convenient synthesis of perfluoroalkyl ketones

Article

Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions

Article

Boryl Ligands and Their Roles in Metal-Catalyzed Borylation Reactions

Conference paper

DFT Studies on Ru-Catalyzed C-H Amination of Arylazides

Conference paper

A Facile Route to Aryl Boronates: Room-Temperature, Copper-Catalyzed Borylation of Aryl Halides with Alkoxy Diboron Reagents

Article

A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core

Article

Boryl ligands and their roles in metal-catalysed borylation reactions

Article

d⁰過渡金屬化合物對氧氣反應性:合成和反應機理研究

Article

Density Functional Theory Studies on the Reduction of CO2 to CO by a (NHC)Ni-0 Complex

Article

DFT Studies on Reactions of Transition Metal Complexes with O-2

Article

DFT Studies on the Reduction of CO2 to CO by a (NHC)Ni(0) Complex

Article

O-Abstraction Reactions of Nitrous Oxide with Cp2Ti(II) and Other Middle Transition Metal Complexes

Article

Phosphorescence Color Tuning by Ligand, and Substituent Effects of Multifunctional Iridium(III) Cyclometalates with 9-Arylcarbazole Moieties

Article

Reactivities of d⁰ transition metal complexes toward oxygen: Synthetic and mechanistic studies

Article

Ruthenium-Catalyzed Intramolecular Amination Reactions of Aryl- and Vinylazides

Article

STRUCTURE DETERMINATION OF TpRu(PPh3) {kappa(2)-N, O-NH = C(Ph)N = C(Ph)O}: A STORY OF HOW COMPUTATIONAL STUDIES CONTRIBUTE TO THE STRUCTURAL CHARACTERIZATION PROCESS

Article

Symmetric Versus Unsymmetric Platinum(II) Bis(aryleneethynylene)s with Distinct Electronic Structures for Optical Power Limiting/Optical Transparency Trade-off Optimization

Article

Synthesis of Monosubstituted Cyclopentadienyl Ruthenium Complexes from the Reactions of 6-Substituted Fulvenes with RuHCI(PPh₃)₃

Article

Synthesis, characterization, photophysics and electrophosphorescent applications of phosphorescent platinum cyclometalated complexes with 9-arylcarbazole moieties

Article

Theoretical Investigations on Mechanisms of pd(OAC)(2)-Catalyzed Intramolecular Diaminations in the Presence of Bases and Oxidants

Article

Theoretical studies on beta-aryl elimination from Rh(I) complexes

Article

DFT Studies on Ru-Catalyzed C-H Amination of Arylazides

Conference paper

A DFT study on the mechanism of hydrosilylation of unsaturated compounds with neutral hydrido(hydrosilylene)tungsten complex

Article

A multifunctional iridium-carbazolyl orange phosphor for high-performance two-element WOLED exploiting exciton-managed fluorescence/phosphorescence

Article

A natural light induced regioselective 6 pi-electrocyclisation-oxidative aromatisation reaction: experimental and theoretical insights

Article

A photoluminescent hexanuclear silver(I) complex exhibiting C-H ... Ag close interactions

Article

DFT studies on the borylation of α,β-unsaturated carbonyl compounds catalyzed by phosphine copper(I) boryl complexes and observations on the interconversions between O- and C-bound enolates of Cu, B, and Si

Article

DFT studies on the mechanism of the diboration of aldehydes catalyzed by copper(I) boryl complexes

Article

DFT STUDIES ON THE STABILITY OF THE TRANS AND CIS ISOMERS IN THE SQUARE PLANAR PALLADIUM(II) COMPLEXES Pd(I)(PPh3) (eta(3)-XCHC(Ph) CHR) (X = CMe3, CO2 Me, P(O)(OMe)(2), AND SO2H; R = H, Me)

Article

Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes

Article

Insertion reactions of allenes with palladium aryl complexes [PdI(Ph)(PPh3)](2) and PdI(Ph)(dppe)

Article

Manipulating charge-transfer character with electron-withdrawing main-group moieties for the color tuning of iridium electrophosphors

Article

Mechanism of catalytic hydration of nitriles with hydrotris(pyrazolyl) borato (Tp) ruthenium complexes

Article

Reactions of Cp*RuCl(COD) with alkynes: Isolation of dinuclear metallacyclopentatriene complexes

Article

Red-light-emitting Iridium Complexes with Hole-transporting 9-arylcarbazole Moieties for Electrophosphorescence Efficiency/color Purity Trade-off Optimization

Article

Rhodium catalysed dehydrogenative borylation of alkenes: Vinylboronates via C-H activation

Article

Robust Tris-Cyclometalated Iridium(III) Phosphors with Ligands for Effective Charge Carrier Injection/Transport: Synthesis, Redox, Photophysical, and Electrophosphorescent Behavior

Article

Ruthenium-catalyzed azide-alkyne cycloaddition: Scope and mechanism

Article

Synthesis of Double-End-Capped Polyethylene by a Cationic Tris(pyrazolyl)borate Zirconium Benzyl Complex

Article

Theoretical studies on coupling reactions of carbon dioxide with alkynes mediated by nickel(0) complexes

Article

Theoretical studies on O-insertion reactions of nitrous oxide with ruthenium hydride complexes

Article

Understanding the higher reactivity of B(2)cat(2) versus B(2)pin(2) in Copper(I)-catalyzed alkene diboration reactions

Article

Understanding the highly regioselective cyanothiolation of 1-alkynes catalyzed by palladium phosphine complexes

Article

Unexpected formation of (dimethylaminomethylene)methylamide complexes from the reactions between metal chlorides and lithium dimethylamide

Article

Contempory Metal Boron Chemistry I

Book

Theoretical Aspects of Metal Vinylidene and Allenylidene Complexes

Book chapter

Transition metal sigma-borane complexes

Book chapter

Theoretical studies on the mechanisms of Cu(I)-catalyzed borations of carbonyl compounds

Conference paper

Theoretical studies on the mechanisms of Cu(I)-catalyzed borations of carbonyl compounds

Conference paper

A metallanaphthalyne complex from zinc reduction of a vinylcarbyne complex

Article

Catalytic H/D exchange between organic compounds and D2O with TpRu(PPh3)(CH3CN)H (Tp = hydro(trispyrazolyl)borate). Reaction of TpRu(PPh3)(CH3CN)H with water to form acetamido complex TpRu(PPh3)(H2O)(NHC(O)CH3)

Article

Conformational flexibility in a carbobicyclic diphosphinite ligand

Article

Current understanding of the sigma-bond metathesis reactions of LnMR+R `-H -> LnMR `+R-H

Article

Cyclometalation of 2-Vinylpyridine with MCl²(PPh³)³ and MHCl(PPh³)³ (M ) Ru, Os)

Article

DFT studies of alkene insertions into Cu-B bonds in copper(I) boryl complexes

Article

DFT studies of beta-boryl elimination processes: Potential role in catalyzed borylation reactions of alkenes

Article

DFT studies on the effect of the nature of the aryl halide Y-C6H4-X on the mechanism of its oxidative addition to (PdL)-L-0 versus (PdL2)-L-0

Article

DFT studies on the mechanism of reactions between N2O and CP2M(eta(2)-alkyne) (M = Ti, Zr)

Article

Efficient organic light-emitting diodes based on sublimable charged iridium phosphorescent emitters

Article

Electron counting in carbaalane clusters with cubic aluminum core

Article

Ligand effect on the insertion reactions of allenes with MHCl(CO)(PPh₃)₃and MHCl(PPh₃)₃ (M = Ru, Os)

Article

New platinum(II) complexes as triplet emitters for high-efficiency monochromatic pure orange electroluminescent devices

Article

Optical power limiters based on colorless di-, oligo-, and polymetallaynes: Highly transparent materials for eye protection devices

Article

Reaction of Ta(NMe2)5 with O2:  Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways

Article

Some ruthenium hydride, dihydrogen, and dihydrogen-bonded complexes in catalytic reactions

Article

Understanding nonplanarity in metallabenzene complexes

Article

DFT Studies on the Mechanism of Allylative Dearomatization Catalyzed by Palladium

Conference paper

Structure and Bonding in Metallabenzene Complexes

Conference paper

Activation of the S-S bonds of alkyl disulfides RSSR (R = Me, Et, Pr, Bu-n) by heterodinuclear phosphido-bridged CpW(Co)(2)(mu-PPh2)Mo(CO)(5)

Article

beta-Heteroatom versus beta-hydrogen elimination: A theoretical study

Article

BF3-activated oxidation of alkanes by MnO4-

Article

Computational study on the reaction mechanism of hydrosilylation of carbonyls catalyzed by high-valent rhenium(V)-di-oxo complexes

Article

Density functional theory studies on the mechanism of the reduction of CO2 to CO catalyzed by copper(I) boryl complexes

Article

DFT studies on the mechanism of allylative dearomatization catalyzed by palladium

Article

DFT Studies on the Mechanism of the Reduction of CO2 to CO Catalyzed by Copper(I) Boryl Complexes

Article

Effect of acetylenic chain length on the tuning of functional properties in fluorene-bridged polymetallaynes and their molecular model compounds

Article

Effect of the leaving ligand X on transmetalation of organostannanes (vinylSnR(3)) with LnPd(Ar)(X) in Stille cross-coupling reactions. A density functional theory study

Article

In-depth insight into metal-alkene bonding interactions

Article

Multifunctional iridium complexes based on carbazole modules as highly efficient electrophosphors

Article

Osmabenzenes from the reactions of a dicationic osmabenzyne complex

Article

Phosphinite ligand effects in palladium(II)-Catalysed cycloisomerisation of 1,6-dienes: Bicyclo[3.2.0]heptanyl diphosphinite (B[3.2.0]DPO) ligands exhibit flexible bite angles, an effect derived from conformational changes (exo- or endo-envelope) in the bicyclic ligand scaffold

Article

Phosphorescent platinum(II) complexes derived from multifunctional chromophores: Synthesis, structures, photophysics, and electroluminescence

Article

Reactions of [Cp*Ru(H₂O)(NBD)]⁺ with dihydrogen, silanes, olefins, alkynes, and allenes

Article

Regioselectivity in the Sonogashira coupling of 4,6-dichloro-2-pyrone

Article

Ruthenium-mediated coupling/cycloaddition of the cyclopentadienyl ligand in [{eta(5):sigma-Me2C-(C5H4)(C2B10H10)}Ru(NCCH3)(2)] with alkynes

Article

Silver(I) complexes in coordination supramolecular system with bulky acridine-based ligands: Syntheses, crystal structures, and theoretical investigations on C-H center dot center dot center dot Ag close interaction

Article

Structures and energetics of porphyrin-fullerene supramolecular complexes

Article

Synthesis and reactivity of cobalt boryl complexes

Article

Synthesis of heterobimetallic Ru-Mn complexes and the coupling reactions of epoxides with carbon dioxide catalyzed by these complexes

Article

Theoretical investigation of alkyne metathesis catalyzed by W/Mo alkylidyne complexes

Article

Theoretical studies on the protonation behavior of tropone and its metal complexes

Article

Understanding the relative easiness of oxidative addition of aryl and alkyl halides to palladium(0)

Article

White metallopolyynes for optical limiting/transparency trade-off optimization

Article

Computational Study on Hydrosilylationof Carbonyls Catalyzed by High-Valent Rhenium(V)-zdioxo Complex

Conference paper

DFT Studies on the Effect of the Aryl Halide on its Oxidative Addition to PdL versus PdL2 Palladium(0) Species

Conference paper

Reactions of Olefin- and Alkyl-Dihydrogen Complexes --- Relevance to Olefin Hydrogenation Catalysis

Conference paper

A multifunctional platinum-based triplet emitter for OLED applications

Article

Functional sidearm promoted electron-transfer reactions: a new route to metallacarboranes incorporating the eta(7)-arachno-carboranyl ligands

Article

Insertion reactions of allenes giving vinyl complexes

Article

Isomerism of Cp-containing transition metal allyl complexes

Article

Mechanism of endo-exo interconversion in eta(3)-allyl Cp complexes: A longstanding unresolved issue

Article

Requirement for an oxidant in Pd/Cu co-catalyzed terminal alkyne homocoupling to give symmetrical 1,4-disubstituted 1,3-diynes

Article

Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study

Article

Structure and bonding of d(8) allyl complexes M(eta(3)-allyl)L-3 (M = Co, Rh, Ir; L = phosphine or carbonyl)

Article

Syntheses, structures, and VT NMR studies of diselenophosphates of group 14 organometals. DFT calculations for gas-phase stability of dinuclear ions, [(Ph3M)(2){mu-Se, Se-P(OR)(2)}](+)(M = Ge, Sn, and Pb)

Article

Synthesis and photophysical properties of trimetallic acetylide complexes with a 1,3,5-triazine core

Article

Synthesis, characterization and crystal structures of new ruthenium carbonyl clusters derived from (9-anthracenyl)diphenylphosphine

Article

Theoretical studies of cycloaddition reactions of cationic aluminum beta-diketiminate alkyl complexes with alkenes and alkynes

Article

Trans influence of boryl ligands and comparison with C, Si, and Sn ligands

Article

beta-Hydrogen Elimination of Five-Membered-Ring Metallocycles

Conference paper

Dimerization of Terminal Alkynes Mediated by Ruthenium Complexes

Conference paper

H/D Exchange Between Deuterium Oxide and Organic Compounds Mediated by Ruthenium Hydride Complexes

Conference paper

Reactions of norbornadiene-dihydrogen complexes

Conference paper

A nonacoordinated bridging selenide in a tricapped trigonal prismatic geometry identified in undecanuclear copper clusters: Syntheses, structures, and DFT calculations

Article

An unusual exchange between alkylidyne alkyl and bis(alkylidene) tungsten complexes promoted by phosphine coordination: Kinetic, thermodynamic, and theoretical studies

Article

beta-Hydrogen elimination of five-membered-ring metallacycles. Is it possible?

Article

Isomerism of [Ru(eta(3)-allyl)Cl(CO)(PPh3)(2)]

Article

New halide-centered discrete Ag-^l₈ cubic clusters containing diselenophosphate ligands, {Ag₈(X)[Se₂P(OR)₂]₆}(PF₆) (X = Cl, Br; R = Et, Pr, ^ir): Syntheses, structures, and DFT calculations

Article

Reactions of hydroborating reagents with phosphinorhodium hydride complexes: molecular structures of a Rh2B3 metallaborane cluster, an L2Rh(eta(2)-H2BR2) complex and a mixed valence Rh dimer containing a semi-bridging Bcat (cat=1,2-O2C6H4) group

Article

Reactions of hydrotris(pyrazolyl)borate (Tp)-supported ruthenium dihydrogen complexes [TpRu(L-2)(H-2)](+) (L-2 = dppm, dppp, (PPh3)(2)) with O-2

Article

Structural analysis of five-coordinate transition metal boryl complexes with different d-electron configurations

Article

Synthesis, structures and luminescent properties of sigma-alkynyl complexes of orthomercuriated Schiff bases

Article

Theoretical investigation of C-H/olefin coupling catalyzed by zirconium(IV) complexes

Article

Theoretical study of reaction pathways for the rhodium phosphine-catalysed borylation of C-H bonds with pinacolborane

Article

Zirconium, hafnium, and tantalum amide silyl complexes: Their preparation and conversion to metallaheterocyclic complexes via gamma-hydrogen abstraction by silyl ligands

Article

Computational Studies of Transition Metal Mediated C-C Coupling Reactions

Conference paper

Unusual Bonding in a Rhodium-bismuth Complex

Conference paper

Accurate molecular structures of 16-electron rhodium hydrido boryl complexes: Low-temperature single-crystal x-ray and neutron diffraction and computational studies of [(PR3)(2)RhHCl(Boryl)] (Boryl = Bpin, Bcat)

Article

Activation of Tri(2-furyl)Phosphine by [Ru₄(μ-H) ₄(CO)₁₂]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters

Article

Carbon-rich organometallic materials derived from 4-ethynylphenylferrocene

Article

C-H bond activation by a hydrotris(pyrazolyl)borato ruthenium hydride complex

Article

Comparative study on the reactivity of H-2, PhCH=CH2, and PhC=CMe with [Cp{*}Ru(H2O)(NBD)](+)

Article

Cp2ZrCH(SiMe3)CCCH(SiMe3): A five-membered 1-zirconacyclopent-3-yne?

Article

Density functional theory studies of ruthenium-catalyzed bis-Diels-Alder cycloaddition of 1,5-cyclooctadiene with alkynes

Article

Density functional theory studies on structural isomers and bonding of catecholborane adducts of Group 5 metallocene (Nb, Ta) hydride complexes

Article

Dihydrogen-bond-promoted catalysis: Catalytic hydration of nitriles with the indenylruthenium hydride complex (eta(5)-C9H7)Ru(dppm)H (dppm = bis(diphenylphosphino)methane)

Article

Formation of a palladium (ii) complex of 2-(2-pyridinylmethyleneamino)-2′-hydroxy-1, 1′-binaphthyl with novel C σ-coordination and its theoretical investigation

Article

Functionalization of 9-(Dicyanomethylene)fluorene derivatives with substituted acetylenes

Article

Ligand substitution in cubic clusters: Surprising isolation of the cocrystallization products of Cu-8(mu(8)-Se)[S2P(OEt)(2)](6) and Cu-6[S2P(OEt)(2)](6)

Article

Protonation and bromination of an osmabenzyne: Reactions leading to the formation of new metallabenzynes

Article

Reactions of dihydrogen(norbornadiene) complexes

Article

Structural and stability studies of titanocene borane sigma-complexes

Article

Supramolecular interactions between fullerenes and porphyrins

Article

Syntheses, structures, photoluminescence, and theoretical studies of a novel class of d(10) metal complexes of 1H-[1,10]phenanthrolin-2-one

Article

Synthesis and characterization of pentaarylated [60]fullerene coordinated complexes [(eta(2)-Ar5C60H)M(PPh3)(2)] (M =Pt, Pd) and an ab initio study on their isomerism

Article

Synthesis and structural characterization of a novel dodecaosmium carbonyl cluster [Os-12(CO)(30)] derived from a new mu(4)-Oxo hexaosmium carbonyl cluster [Os-6(CO)(16)(mu(4)-O)(mu-OH)(2)(mu-CO)(2)]

Article

Synthesis and structural characterization of a triosmium carbonyl cluster containing a 9-anthracenecarbonitrile ligand derived from 9-anthraldehyde oxime

Article

Synthesis, characterization, and theoretical studies of group 4 amido hydrotris(pyrazolyl)borate complexes

Article

Synthesis, structure, and bonding of a zirconocene-1,2-dehydro-o-carborane complex

Article

The first example of tetraosmium carbonyl clusters containing (mu(3)-NH) nitrene ligands: Syntheses and crystal structures

Article

The molecular structure of [Os3Rh4(mu(3)-eta(1):eta(1):eta(1)-C6H5CH3)(CO)(13)]: A face-capping bonding mode for arenes in organometallic clusters

Article

Theoretical studies on the metathesis processes, [Tp(PH3)MR(eta(2)-H-CH3)]->[Tp(PH3)M(CH3)(eta(2)-H-R)] (M = Fe, Ru, and Os; R = H and CH3)

Article

Theoretical studies on the stabilities of metallabenzynes

Article

Understanding the reactivity difference of metal boryl complexes toward alkanes and arenes: A density functional study on the functionalizations of methane and benzene by CpM(CO)(n)(BO2C2H2) (M = Fe, Ru, W)

Article

Density Functional Theory Studies of Transition Metal Complexes Having Unusual Bonding Characteristics

Conference paper

Theoretical Studies on the Stability of Metallabenzynes

Conference paper

Bis(alkynyl) mercury(II) complexes of oligothiophenes and bithiazoles

Article

Density functional theory studies of titanium-catalyzed hydroboration of olefins

Article

Electronic structures of electron-rich octahedrally condensed transition-metal chalcogenide clusters

Article

Silyl-substituted alkylidenes: preparation of the novel complexes and mechanistic studies of their formation from reactions of alkylidenes with silanes and silyl-to-alkylidyne migration

Article

Structural and bonding characteristics in transition metal-silane complexes

Article

Syntheses, structures and photophysical properties of metal carbonyl clusters with dansyl and acridone luminophores

Article

Synthesis and characterization of dihydrogen(olefin)osmium complexes with (E)-Ph2P(CH2)(2)CH=CH(CH2)(2)PPh2

Article

Synthesis and protonation of [RuH(NBD)(2,6-(Ph2PCH2)(2)C6H3)]

Article

Synthesis, characterization and theoretical studies of new heterometallic carbonyl clusters bridged by 4,4 `-dipyridyl unit

Article

Synthesis, structures and optical spectroscopy of photoluminescent platinum-linked poly(silylacetylenes)

Article

The photodissociation of N,N-dimethylformamide: A complete active space self-consistent field study

Article

Theoretical studies on the β-hydrogen elimination reactions of palladium and platinum alkoxide complexes containing bidentate ligands

Article

Understanding the electron counts of aluminum metalloid clusters

Article

Transition Metal Catalyzed Borations

Book chapter

Binuclear gold(I) and mercury(II) derivatives of diethynylfluorenes

Article

Geometric features and electronic structures of six-coordinated dialkyl and dithiolate complexes of osmium(IV) porphyrins

Article

Magnetic exchange interactions in oxo-bridged diiron(III) systems: Density functional calculations coupling the broken symmetry approach

Article

Minimum Energy Structure of Hydridotris(pyrazolyl)borato Iridium(V) Tetrahydride Is Not a C^3vCapped Octahedron

Article

Novel cationic selenium-cluster nitride species [SenN]+ (n=1-11) formed by laser ablation of a Se target in the presence of N-2

Article

Promoting effect of water in ruthenium-catalyzed hydrogenation of carbon dioxide to formic acid

Article

Protonation reactions of [MH(Cl)(PPh3)(2)(norbornadiene)] (M = Ru, Os)

Article

Ruthenium-cobalt mixed-metal nitrido and nitrene carbonyl clusters: Structure, reactivity, and ¹⁵N NMR spectroscopy

Article

Structural preference in complexes containing both double-face and single-face pi-acceptor ligands

Article

Synthesis, characterisation, crystal structures, reactivity, and electrochemistry of ruthenium-nitrido, ruthenium-cobalt-imido and ruthenapyrrolidone carbonyl clusters containing alkyne ligands

Article

Synthesis, Structural Characterization, Solvatochromism, and Electrochemistryof Tetra-Osmium Carbonyl Clusters Containing Azo-Ligands

Article

Synthesis, structures and properties of platinum( II) complexes of oligothiophene-functionalized ferrocenylacetylene

Article

A new approach to the distortion of the tetrahedral geometry at E in the E(ZXY(2))(4) compounds

Article

Bonding Analysis of Titanocene Borane σ-Complexes

Article

Bonding studies of dinuclear transition metal bis(mu-eta(2)-silane) complexes [LnM(mu-eta(2)-HSiR2)](2) by density functional theory

Article

Chiroptical properties of poly(phenylacetylene)s: Experimental observation and theoretical calculation

Article

Protonation of [tpmRu(PPh3)(2)H]BF4 [tpm = tris(pyrazolyl)methane] - Formation of unusual hydrogen-bonded species

Article

Reactions of MH(OTf)(NBD) (PPh3)(2) (M = Ru, Os) with H-2

Article

Solvothermal synthesis of a stable coordination polymer with copper-I-copper-II dimer units: [Cu-4{1,4-C6H4(COO)(2)}(3)(4,4 `-bipy)2](n)

Article

Synthesis, structure, and bonding of d(0)/f(n) metallacarboranes incorporating the eta(7)-carboranyl ligand

Article

Theoretical studies of rotational barriers of vinylidene ligands in the five-coordinate complexes M(X)Cl(=C=CHR)L-2 (M = Os, Ru; L = phosphine)

Article

Understanding the readiness of silane dissociation in transition metal eta(2)-silane complexes Cp(CO)(2)M[eta(2)-H(SiH3-nCln)] (M = Mn, Tc, and Re; n=1-3)

Article

Unexpected formation of osmium carbyne and vinylidene complexes from the reaction of OsCl2(PPh3)(3) with HC CCMe3

Article

Experimental and theoretical studies of highly fluxional TpRu(PPh3)''H2SiR3'' complexes (Tp = hydridotris(pyrazolyl)borate)

Article

Stability of the trans-bis(H center dot center dot center dot Si) structure in the complex RuH2(PCy3)(2)(kappa-eta(2)-H center dot center dot center dot SiMe2-o-C6H4-SiMe2 center dot center dot center dot H), studied by density functional theory

Article

Structural preferences in eta(2)-alkenyl transition-metal complexes ML5(eta(2)-alkenyl) and MCpL2(eta(2)-alkenyl)

Article

Synthesis and electrochemical properties of C5H-bridged bimetallic iron, ruthenium, and osmium complexes

Article

Theoretical studies of the acidity of the dihydrogen complexes trans-[LM(H2PCH2CH2PH2)(2)(eta(2)-H-2)](n+)

Article

Theoretical studies of the relative stabilities of transition metal alkylidyne (CH3)(2)M( CH)(X) and bis(alkylidene) (CH3)M(= CH2)(2)(X) complexes

Article

Application of the orbital deletion procedure (ODP) to planar carbocations

Article

Peculiar hydride-silyl interactions in group 5 bent metallocene complexes, studied by ab initio calculations

Article

Structure and bonding analysis of some xenophilic transition metal clusters

Article

Understanding nonlinearity in multiply-bonded digallium molecules

Article

Understanding the preference for the coplanarity of alkenyl and carbonyl ligands in eta(1)-alkenyl transition-metal complexes: A simple molecular orbital approach and ab initio calculations

Article

Unusual five-center, four-electron bonding in a rhodium-bismuth complex with pentagonal-bipyramidal geometry

Article

Analysis of the Bonding in [Ni-5(mu(5)-S)(mu(2)-SR)(5)](-), an Unprecedented Pentanuclear Sulfide Cluster

Article

Competing metal-pi-acetylene and metal-sigma-(H-Si) interactions in the complex Ti(eta(5)-C5H5)(2)(eta(2)-trans-RC CSiHR(2))

Article

Metal-metal interactions in transition metal clusters with π-donor ligands

Article

Quantitative evaluation of hyperconjugation in the cyclopropylcarbinyl cation and in cyclopropylborane

Article

Bond-distorted orbitals and effects of hybridization and resonance on C-C bond lengths

Article

Delocalization in allyl cation, radical, and anion

Article

Influence of structure and composition on linear and nonlinear optical properties of clusters: A case study on clusters (n-Bu(4)N)(3)[MS(4)M'(3)XX'(3)], MS(4)M'(3)X(PPh(3))(3), and (n-Bu(4)N)(2)[MOS(3)M'(3)X'(3)] (M=Mo, W; M'=Cu, Ag; X=Cl, Br; X'=Cl, Br, I, SCN)

Article

Metal-Silane Interaction in the Novel Pseudo-Octahedral Silane Complexes cis-Mo(CO)(PH₃)₄(H---SiH₃) and Some Related Isomers: An ab Initio Study

Article

Novel intermolecular C-H pi interactions: An ab initio and density functional theory study

Article

Organo-template control of inorganic structures: A low-symmetry two-dimensional sheet aluminophosphate3[NH(3)CHMeCH(2)NH(3)][Al6P8O32]center dot H2O

Article

Phosphorus-cluster cations produced by laser ablation of red phosphorus

Article

Stereochemistry of seven-coordinate main group and d(0) transition metal molecules

Article

Structure and bonding in face- and edge-bridged octahedral transition metal clusters

Article

Syntheses, structures and reactivities of [Os6Pd(CO)(18)(bipy)] and [{(bipy)Pd}(2)Os-3(CO)(12)]: Crystal and molecular structures of [{(bipy)Pd}(2)(mu-H)(mu-CO)][H3Os4(CO)(12)] and [(C4H9)(4)N](2)[Pd2I6]

Article

Theoretical study of conjugation, hyperconjugation, and steric effect in B2D4 (D=H, F, OH, NH2, and CH3)

Article

Theoretical study of metal-tetrahydroborato ligand interactions in [Y(THF)(4)(BH4)2](+)

Article

Transition metal tetrahydroborato complexes: An orbital interaction analysis of their structure and bonding

Article

Two-photon ionization studies of binary aromatic van der Waals clusters: Benzene ... chlorobenzene and (chlorobenzene)(2)

Article

Closed-shell Electronic Requirements for small fullerene cage structures

Article

Experimental and theoretical-studies of small homoatomic phosphorus clusters

Article

Structure and bonding studies of ClX-C²H⁴ (X = H or Br) van der Waals complexes

Article

Integrated NMR and Ab initio study of acetonitrile in zeolites: A reactive complex model of zeolite acidity

Article

Stabilities of Metallacyclobutadiene and Metallatetrahedrane Complexes

Article

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 8. Hydrogen Exchange in the β-agostic Ethylene Complexes of Cyclopentadienyl Rhodium

Article

Transition Metal Polyhydride Complexes 7. Classical and Nonclassical Structures of [ReH4(CO)(PR3)3]+

Article

Transition Metal Polyhydride Complexes, A Theoretical View

Article

A group theoretical analysis on transition-metal complexes with metal-liagand multiple bonds

Article

Geometric distortions in four-legged piano-stool cyclopentadienyl transition-metal complexes

Article

Structure and Bonding in Chain-like Polyhalonium cations and Polyhalide Anions

Article

Structure and Bonding in Cyclic Tetrameric Selenium-Nitrogen and Phosphorus-Nitrogen Systems. A comparative View

Article

Theoretical Studies on the Stability of M8C12 Clusters

Article

Transition Metal Polyhydride Complexes 6. CpML6-nHn (n=4-6) Complexes

Article

Unusual Attractive Interactions between Selenium and Oxygen in Selenaiminoquinones

Article

Electron density analysis on the transition states of substitution reactions of 17- and 18-electron hexacarbonyl complexes

Article

The Structure and Bonding in M8C12 Clusters

Article

Theoretical studies of inorganic and organometallic reaction mechanisms. 5. Substitution reactions of 17- and 18-electron transition-metal hexacarbonyl complexes

Article

Transition metal polyhydride complexes 2. Theoretical methods for the determination of stabilities of classical and nonclassical isomers

Article

Transition metal polyhydride complexes 3. The stabilities of classical and nonclassical Hydrides

Article

Transition metal polyhydride complexes. 4. Highly stable nonclassical isomers with octahedral structures

Article

Transition Metal Polyhydride Complexes. 5. Complexes with a Cyclopentadienyl Ligand

Article

Closed-Shell Electronic Requirements for Condensed Clusters of the Group 11 Elements

Article

Closed-shell electronic structures for linear LnMXMLn dinuclear transition metal complexes

Article

Hydride locations and bonding studies in some silyl polyhydride rhenium complexes

Article

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 2. The Trans Effect in Square-Planar Platinum(II) and Rhodium(I) Substitution Reactions

Article

A structural jellium model of cluster electronic structure

Article

Bonding models for ligated and bare clusters

Article

Clusters in inorganic and molecular beam chemistry, some unifying principles

Article

Hybridization scheme for coordination and organometallic compounds

Book chapter

A group theoretical paradigm for describing the skeletal molecular orbitals of cluster compounds. Part 3

Article

Polyhedral skeletal electron pair theory of bare clusters 1: small silicon clusters

Article

Site preference effects in heterometallic clusters

Article

Skeletal rearrangements in clusters. 2

Article

Structural consequences of the jellium model for alkali metal clusters

Article

The tensor surface harmonic-equivalent orbital model for bonding in polyhedral cluster molecules

Article

Non-bonding orbitals in co-ordination, hydrocarbon and cluster compounds

Book chapter

A theoretical analysis of high nuclearity metal carbonyl clusters

Article

Group theoretical paradigm for defining the non-bonding molecular orbitals

Article

Molecular orbital analysis of some carbonyl cluster compounds with close-packed metallic arrangements

Article

The bonding rules of Mo-Fe-S cluster compounds

Article

Theoretical analysis of cluster compounds with cylindrical topologies

Article

The bonding properties of molybdenum-iron-sulfur clusters

Article