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

Synthesis of PCP-Supported Nickel Complexes and their Reactivity with Carbon Dioxide

(2012) Timothy J. Schmeier et al.   CHEMISTRY-A EUROPEAN JOURNAL

Recent developments in carbon dioxide utilization for the production of organic chemicals

(2012) Iwao Omae   COORDINATION CHEMISTRY REVIEWS

Matrix Isolation Spectroscopic and Theoretical Study of Carbon Dioxide Activation by Titanium Oxide Molecules

(2012) Jia Zhuang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mechanisms for CO Production from CO2 Using Reduced Rhenium Tricarbonyl Catalysts

(2012) Jay Agarwal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Depolymerization of Polycarbonates Derived from Carbon Dioxide and Epoxides to Provide Cyclic Carbonates. A Kinetic Study

(2012) Donald J. Darensbourg et al.   MACROMOLECULES

Carboxylation of Alkylboranes by N-Heterocyclic Carbene Copper Catalysts: Synthesis of Carboxylic Acids from Terminal Alkenes and Carbon Dioxide

(2011) Takeshi Ohishi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Transition-Metal-Catalyzed Carboxylation of CH Bonds

(2011) Lutz Ackermann   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Transformation of Carbon Dioxide with Homogeneous Transition-Metal Catalysts: A Molecular Solution to a Global Challenge?

(2011) Mirza Cokoja et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic Hydrogenation of Carbon Dioxide with a Highly Active Hydride on Ir(III)–Pincer Complex: Mechanism for CO2Insertion and Nature of Metal–Hydride Bond

(2011) Jun Li et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Transition-metal-catalyzed C–C bond formation through the fixation of carbon dioxide

(2011) Kun Huang et al.   CHEMICAL SOCIETY REVIEWS

CO2 Insertion into Metal-Carbon Bonds: A Computational Study of RhI Pincer Complexes

(2011) Thomas G. Ostapowicz et al.   CHEMISTRY-A EUROPEAN JOURNAL

Carboxylation of Arene CH Bonds with CO2: A DFT-Based Approach to Catalyst Design

(2011) Andreas Uhe et al.   CHEMISTRY-A EUROPEAN JOURNAL

Tuning the Laplaza-Cummins 3-coordinate M[N(R)Ph]3 catalyst to activate and cleave CO2

(2011) Nigel J. Brookes et al.   DALTON TRANSACTIONS

DFT study on activation of carbon dioxide by (tBuArN)3MN (MNb,V,Ta): the electronic structure and activity

(2011) Xingye Ren et al.   DALTON TRANSACTIONS

From greenhouse gas to feedstock: formation of ammonium carbamate from CO2 and NH3 in organic solvents and its catalytic conversion into urea under mild conditions

(2011) Francesco Barzagli et al.   GREEN CHEMISTRY

How Does the Nickel Pincer Complex Catalyze the Conversion of CO2to a Methanol Derivative? A Computational Mechanistic Study

(2011) Fang Huang et al.   INORGANIC CHEMISTRY

Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates

(2011) Deguang Huang et al.   INORGANIC CHEMISTRY

Copper-Mediated Reduction of CO2with pinB-SiMe2Ph via CO2Insertion into a Copper–Silicon Bond

(2011) Christian Kleeberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2

(2011) Damian P. Hruszkewycz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small Molecule Activation by Uranium Tris(aryloxides): Experimental and Computational Studies of Binding of N2, Coupling of CO, and Deoxygenation Insertion of CO2under Ambient Conditions

(2011) Stephen M. Mansell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT Studies on Reactions of CO2with Niobium and Vanadium Nitride Complexes

(2011) Congjie Zhang et al.   ORGANOMETALLICS

DFT Investigation of Ligand-Based Reduction of CO2to CO on an Anionic Niobium Nitride Complex: Reaction Mechanism and Role of the Na+Counterion

(2011) Edoardo Mosconi et al.   ORGANOMETALLICS

Mechanistic Studies of the Insertion of CO2 into Palladium(I) Bridging Allyl Dimers

(2011) Damian P. Hruszkewycz et al.   ORGANOMETALLICS

DFT Study on the Mechanism of the Activation and Cleavage of CO2by (NHC)CuEPh3(E = Si, Ge, Sn)

(2011) Alireza Ariafard et al.   ORGANOMETALLICS

Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex

(2011) Ryo Tanaka et al.   ORGANOMETALLICS

Trialkylborane-Assisted CO2Reduction by Late Transition Metal Hydrides

(2011) Alexander J. M. Miller et al.   ORGANOMETALLICS

DFT Studies on the Carboxylation of the C–H Bond of Heteroarenes by Copper(I) Complexes

(2011) Alireza Ariafard et al.   ORGANOMETALLICS

Ionic liquid-assisted carboxylation of amines by CO2: a mechanistic consideration

(2011) Yu Na Shim et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections

(2011) Sebastian Kozuch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2011) Meiyan Wang et al.   POLYHEDRON

Kinetics and mechanistic analysis of an extremely rapid carbon dioxide fixation reaction

(2011) D. Huang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hydrogenation of Carbon Dioxide Catalyzed by PNP Pincer Iridium, Iron, and Cobalt Complexes: A Computational Design of Base Metal Catalysts

(2011) Xinzheng Yang   ACS Catalysis

CO2 chemistry: task-specific ionic liquids for CO2 capture/activation and subsequent conversion

(2011) Zhen-Zhen Yang et al.   RSC Advances

Copper-Catalyzed Hydrocarboxylation of Alkynes Using Carbon Dioxide and Hydrosilanes

(2010) Tetsuaki Fujihara et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Copper-Catalyzed Direct Carboxylation of CH Bonds with Carbon Dioxide

(2010) Liang Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Carboxylation of NH/CH Bonds Using N-Heterocyclic Carbene Copper(I) Complexes

(2010) Ine I. F. Boogaerts et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Exploring the reactions of CO2with PCP supported nickel complexes

(2010) Timothy J. Schmeier et al.   CHEMICAL COMMUNICATIONS

Direct C–H carboxylation with complexes of the coinage metals

(2010) Ine I. F. Boogaerts et al.   CHEMICAL COMMUNICATIONS

Recent developments in carbon dioxide utilization under mild conditions

(2010) Siti Nurhanna Riduan et al.   DALTON TRANSACTIONS

Density Functional Theory Study on the Mechanism of the Reductive Cleavage of CO2by a Bis-β-Diketoiminatediiron Dinitrogen Complex

(2010) Alireza Ariafard et al.   INORGANIC CHEMISTRY

Chemistry of Carbon Dioxide Relevant to Its Utilization: A Personal Perspective

(2010) Donald J. Darensbourg   INORGANIC CHEMISTRY

Theoretical study on the reactions of Nb and Nb+ with CO2 in gas phase

(2010) De-Man Han et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Iridium catalyzed hydrogenation of CO2 under basic conditions—Mechanistic insight from theory☆

(2010) Mårten S.G. Ahlquist   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Ligand-Based Reduction of CO2to CO Mediated by an Anionic Niobium Nitride Complex

(2010) Jared S. Silvia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gold(I)-Mediated C−H Activation of Arenes

(2010) Pengfei Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Efficient Nickel Catalyst for the Reduction of Carbon Dioxide with a Borane

(2010) Sumit Chakraborty et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carboxylation of C−H Bonds UsingN-Heterocyclic Carbene Gold(I) Complexes

(2010) Ine I. F. Boogaerts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cu(I)-Catalyzed Carboxylative Coupling of Terminal Alkynes, Allylic Chlorides, and CO2

(2010) Wen-Zhen Zhang et al.   ORGANIC LETTERS

A DFT Study on the Mechanism of the Coupling Reaction between Chloromethyloxirane and Carbon Dioxide Catalyzed by Re(CO)5Br

(2010) Cai-Hong Guo et al.   ORGANOMETALLICS

DFT Studies on the Carboxylation of Arylboronate Esters with CO2Catalyzed by Copper(I) Complexes

(2010) Li Dang et al.   ORGANOMETALLICS

The Reaction of Carbon Dioxide with Palladium−Allyl Bonds

(2010) Jianguo Wu et al.   ORGANOMETALLICS

Mechanisms of the CO2Insertion into (PCP) Palladium Allyl and Methyl σ-Bonds. A Kinetic and Computational Study

(2010) Magnus T. Johnson et al.   ORGANOMETALLICS

Copper- and copper-N-heterocyclic carbene-catalyzed CboxhH activating carboxylation of terminal alkynes with CO2 at ambient conditions

(2010) D. Yu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Theoretical study on the reactions of Zr+ and Zr with CO2 in gas phase

(2010) Guo-Liang Dai et al.   Russian Journal of Physical Chemistry A

Synthesis of carbonates directly from 1 atm CO2 and alcohols using CH2Cl2

(2010) Yusuke Yamazaki et al.   TETRAHEDRON

Late Metal Carbene Complexes Generated by Multiple C−H Activations: Examining the Continuum of M═C Bond Reactivity

(2009) Matthew T. Whited et al.   ACCOUNTS OF CHEMICAL RESEARCH

Boryl ligands and their roles in metal-catalysed borylation reactions

(2009) Li Dang et al.   CHEMICAL COMMUNICATIONS

The synthesis of organic carbonates from carbon dioxide

(2009) Toshiyasu Sakakura et al.   CHEMICAL COMMUNICATIONS

Reactivity of CO2 towards Mo[N(R)Ph]3

(2009) Nigel J. Brookes et al.   DALTON TRANSACTIONS

Metal–ligand cooperation in the trans addition of dihydrogen to a pincer Ir(i) complex: a DFT study

(2009) Mark A. Iron et al.   DALTON TRANSACTIONS

Theoretical study on the mechanism of nickel(0)-mediated coupling between carbon dioxide and epoxyethane

(2009) Cai-Hong Guo et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

A Comprehensive Theoretical Study on the Coupling Reaction Mechanism of Propylene Oxide with Carbon Dioxide Catalyzed by Copper(I) Cyanomethyl

(2009) Cai-Hong Guo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cleavage of Carbon Dioxide by an Iridium-Supported Fischer Carbene. A DFT Investigation

(2009) Nigel J. Brookes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Palladium-Catalyzed Direct Carboxylation of Aryl Bromides with Carbon Dioxide

(2009) Arkaitz Correa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)−Pincer Complexes

(2009) Ryo Tanaka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Transition-Metal-Free Carboxylation of Organozinc Reagents Using CO2in DMF Solvent

(2009) Koji Kobayashi et al.   ORGANIC LETTERS

Density Functional Theory Studies on the Reduction of CO2to CO by a (NHC)Ni0Complex

(2009) Juan Li et al.   ORGANOMETALLICS

Density functional theory for transition metals and transition metal chemistry

(2009) Christopher J. Cramer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carboxylation of Organoboronic Esters Catalyzed by N‐Heterocyclic Carbene Copper(I) Complexes

(2008) Takeshi Ohishi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Studies of the Carbon Dioxide and Epoxide Coupling Reaction in the Presence of Fluorinated Manganese(III) Acacen Complexes: Kinetics of Epoxide Ring-Opening

(2008) Donald J. Darensbourg et al.   INORGANIC CHEMISTRY

Reduction of CO2to CO Using Low-Coordinate Iron:  Formation of a Four-Coordinate Iron Dicarbonyl Complex and a Bridging Carbonate Complex

(2008) Azwana R. Sadique et al.   INORGANIC CHEMISTRY

Regioselective control of the nickel-mediated coupling of acetylene and carbon dioxide – A DFT study

(2008) David C. Graham et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Oxygen-Atom Transfer from Carbon Dioxide to a Fischer Carbene at (PNP)Ir

(2008) Matthew T. Whited et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carbon−Carbon Bond Formation on Reaction of a Copper(I) Stannyl Complex with Carbon Dioxide

(2008) Koyel X. Bhattacharyya et al.   ORGANOMETALLICS

Theoretical Studies on Coupling Reactions of Carbon Dioxide with Alkynes Mediated by Nickel(0) Complexes

(2008) Juan Li et al.   ORGANOMETALLICS