DFT Study on the Electrocatalytic Reduction of CO2 to CO by a Molecular Chromium Complex

Ligand-Controlled Product Selectivity in Electrochemical Carbon Dioxide Reduction Using Manganese Bipyridine Catalysts

(2020) Magnus H. Rønne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetic Analysis on the Role of Bicarbonate in Carbon Dioxide Electroreduction at Immobilized Cobalt Phthalocyanine

(2020) Joy Shuang Zeng et al.   ACS Catalysis

Metal–Ligand Cooperativity via Exchange Coupling Promotes Iron- Catalyzed Electrochemical CO2 Reduction at Low Overpotentials

(2020) Jeffrey S. Derrick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO

(2020) Sergio Gonell et al.   ACS Catalysis

Thermodynamic Considerations for Optimizing Selective CO2 Reduction by Molecular Catalysts

(2019) Jeffrey M. Barlow et al.   ACS Central Science

A bis ‐Pyrazolate Pincer on Reduced Cr Deoxygenates CO 2 : Selective Capture of the Derived Oxide by Cr II

(2019) Nicholas S. Labrum et al.   CHEMISTRY-A EUROPEAN JOURNAL

Reduction of CO2 to CO by an Iron Porphyrin Catalyst in the Presence of Oxygen

(2019) Biswajit Mondal et al.   ACS Catalysis

An Investigation of Electrocatalytic CO2 Reduction Using a Manganese Tricarbonyl Biquinoline Complex

(2019) Meaghan McKinnon et al.   Frontiers in Chemistry

Highly Efficient Electrocatalytic Reduction of CO2 to CO by a Molecular Chromium Complex

(2019) Shelby L. Hooe et al.   ACS Catalysis

A Highly Active N-Heterocyclic Carbene Manganese(I) Complex for Selective Electrocatalytic CO2 Reduction to CO

(2018) Federico Franco et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanistic aspects of CO 2 reduction catalysis with manganese-based molecular catalysts

(2018) David C. Grills et al.   COORDINATION CHEMISTRY REVIEWS

Electrocatalytic Reduction of CO2 to Formate by an Iron Schiff Base Complex

(2018) Asa W. Nichols et al.   INORGANIC CHEMISTRY

CO2 Reduction Pathways on MnBr(N-C)(CO)3 Electrocatalysts

(2018) Jonathon E. Vandezande et al.   ORGANOMETALLICS

Carbon Dioxide Reduction by Iron Hangman Porphyrins

(2018) Charles G. Margarit et al.   ORGANOMETALLICS

Highly Selective Molecular Catalysts for the CO2-to-CO Electrochemical Conversion at Very Low Overpotential. Contrasting Fe vs Co Quaterpyridine Complexes upon Mechanistic Studies

(2018) Claudio Cometto et al.   ACS Catalysis

Kinetic and Mechanistic Effects of Bipyridine (bpy) Substituent, Labile Ligand, and Brønsted Acid on Electrocatalytic CO2 Reduction by Re(bpy) Complexes

(2018) Melissa L. Clark et al.   ACS Catalysis

Electrochemical reduction of carbon dioxide with a molecular polypyridyl nickel complex

(2018) Lauren E. Lieske et al.   Sustainable Energy & Fuels

Lewis Acid Enhancement of Proton Induced CO2 Cleavage: Bond Weakening and Ligand Residence Time Effects

(2018) Joshua A. Buss et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Directing the reactivity of metal hydrides for selective CO2 reduction

(2018) Bianca M. Ceballos et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Role of Electrode–Catalyst Interactions in Enabling Efficient CO2 Reduction with Mo(bpy)(CO)4 As Revealed by Vibrational Sum-Frequency Generation Spectroscopy

(2017) Gaia Neri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Central Role of Bicarbonate in the Electrochemical Reduction of Carbon Dioxide on Gold

(2017) Marco Dunwell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Turning on the Protonation-First Pathway for Electrocatalytic CO2 Reduction by Manganese Bipyridyl Tricarbonyl Complexes

(2017) Ken T. Ngo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cyclopentadienone iron complexes as efficient and selective catalysts for the electroreduction of CO2 to CO

(2017) Alonso Rosas-Hernández et al.   Catalysis Science & Technology

Electrocatalytic Reduction of CO2 by Group 6 M(CO)6 Species without “Non-Innocent” Ligands

(2016) Kyle A. Grice et al.   INORGANIC CHEMISTRY

Through-Space Charge Interaction Substituent Effects in Molecular Catalysis Leading to the Design of the Most Efficient Catalyst of CO2-to-CO Electrochemical Conversion

(2016) Iban Azcarate et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Manganese Electrocatalysts with Bulky Bipyridine Ligands: Utilizing Lewis Acids To Promote Carbon Dioxide Reduction at Low Overpotentials

(2016) Matthew D. Sampson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selectivity for HCO2– over H2 in the Electrochemical Catalytic Reduction of CO2 by (POCOP)IrH2

(2016) Samantha I. Johnson et al.   ACS Catalysis

Current Issues in Molecular Catalysis Illustrated by Iron Porphyrins as Catalysts of the CO2-to-CO Electrochemical Conversion

(2015) Cyrille Costentin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Reduction of CO2 by Pyridine Monoimine Molybdenum Carbonyl Complexes: Cooperative Metal-Ligand Binding of CO2

(2015) Daniel Sieh et al.   CHEMISTRY-A EUROPEAN JOURNAL

Design of a Catalytic Active Site for Electrochemical CO2 Reduction with Mn(I)-Tricarbonyl Species

(2015) Jay Agarwal et al.   INORGANIC CHEMISTRY

Intermediates Involved in the 2e–/2H+ Reduction of CO2 to CO by Iron(0) Porphyrin

(2015) Biswajit Mondal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Homogeneous Reduction of CO2 by [Ni(cyclam)]+: Increased Catalytic Rates with the Addition of a CO Scavenger

(2015) Jesse D. Froehlich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reductive Disproportionation of Carbon Dioxide by an Alkyl-Functionalized Pyridine Monoimine Re(I) fac-Tricarbonyl Electrocatalyst

(2015) Charles W. Machan et al.   ORGANOMETALLICS

Turning it off! Disfavouring hydrogen evolution to enhance selectivity for CO production during homogeneous CO2 reduction by cobalt–terpyridine complexes

(2015) Noémie Elgrishi et al.   Chemical Science

Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide

(2014) Christoph Riplinger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reversible CO2 binding triggered by metal–ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen

(2014) Matthias Vogt et al.   Chemical Science

Reduction of carbon dioxide to oxalate by a binuclear copper complex

(2014) Uttam R. Pokharel et al.   Nature Communications

[M(CO)4(2,2′-bipyridine)] (M=Cr, Mo, W) Complexes as Efficient Catalysts for Electrochemical Reduction of CO2at a Gold Electrode

(2014) Joanne Tory et al.   ChemElectroChem

The Electronic States of Rhenium Bipyridyl Electrocatalysts for CO2Reduction as Revealed by X-ray Absorption Spectroscopy and Computational Quantum Chemistry

(2013) Eric E. Benson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Manganese as a Substitute for Rhenium in CO2 Reduction Catalysts: The Importance of Acids

(2013) Jonathan M. Smieja et al.   INORGANIC CHEMISTRY

Elucidation of the Selectivity of Proton-Dependent Electrocatalytic CO2 Reduction by fac-Re(bpy)(CO)3Cl

(2013) John A. Keith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of Tungsten and Molybdenum Carbon Dioxide Complexes

(2013) Robert G. Carden et al.   ORGANOMETALLICS

Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2

(2012) Jay Agarwal et al.   CHEMICAL COMMUNICATIONS

Homogeneous CO2 Reduction by Ni(cyclam) at a Glassy Carbon Electrode

(2012) Jesse D. Froehlich et al.   INORGANIC CHEMISTRY

Kinetic and structural studies, origins of selectivity, and interfacial charge transfer in the artificial photosynthesis of CO

(2012) J. M. Smieja et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Local Proton Source Enhances CO2 Electroreduction to CO by a Molecular Fe Catalyst

(2012) C. Costentin et al.   SCIENCE

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Reduction of CO2on a Tricarbonyl Rhenium(I) Complex: Modeling a Catalytic Cycle

(2011) Jay Agarwal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

(2011) Raphael F. Ribeiro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Directing the Reactivity of [HFe4N(CO)12]−toward H+or CO2Reduction by Understanding the Electrocatalytic Mechanism

(2011) M. Diego Rail et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Automatic analysis of computed catalytic cycles

(2010) Andreas Uhe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electrocatalytic CO2 Conversion to Oxalate by a Copper Complex

(2010) R. Angamuthu et al.   SCIENCE

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Factors Controlling the Selective Hydroformylation of Internal Alkenes to Linear Aldehydes. 1. The Isomerization Step

(2009) Maria Àngels Carvajal et al.   ORGANOMETALLICS

Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuels

(2008) Eric E. Benson et al.   CHEMICAL SOCIETY REVIEWS