Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes

Hydrogen Activation by Frustrated Lewis Pairs Revisited by Metadynamics Simulations

(2017) Lei Liu et al.   Journal of Physical Chemistry C

Why Does Alkylation of the N–H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?

(2017) Pavel A. Dub et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair

(2017) Jesús Campos   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reversible Heterolytic Cleavage of the H–H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride

(2017) Shaoguang Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Frustrated Lewis Pair vs Metal–Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System

(2017) Zhongbao Jian et al.   ORGANOMETALLICS

Controlling Proton Delivery through Catalyst Structural Dynamics

(2016) Allan Jay P. Cardenas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Importance of the Active Site “Canopy” Residues in an O2-Tolerant [NiFe]-Hydrogenase

(2016) Emily J. Brooke et al.   BIOCHEMISTRY

Functional group migrations between boron and metal centres within transition metal–borane and –boryl complexes and cleavage of H–H, E–H and E–E′ bonds

(2016) Gareth R. Owen   CHEMICAL COMMUNICATIONS

Dihydrogen Complexation

(2016) Robert H. Crabtree   CHEMICAL REVIEWS

Thermodynamic Hydricity of Transition Metal Hydrides

(2016) Eric S. Wiedner et al.   CHEMICAL REVIEWS

Brønsted–Lowry Acid Strength of Metal Hydride and Dihydrogen Complexes

(2016) Robert H. Morris   CHEMICAL REVIEWS

The mechanism of enantioselective ketone reduction with Noyori and Noyori–Ikariya bifunctional catalysts

(2016) Pavel A. Dub et al.   DALTON TRANSACTIONS

A Functional Model of [Fe]-Hydrogenase

(2016) Tao Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal–Ligand Cooperativity Enables Selective Alkyne Hydrogenation

(2016) Kuei-Nin T. Tseng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2

(2016) Marc Devillard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2

(2016) Ryan M. Stolley et al.   ORGANOMETALLICS

Diiron Azadithiolates as Models for the [FeFe]-Hydrogenase Active Site and Paradigm for the Role of the Second Coordination Sphere

(2015) Thomas B. Rauchfuss   ACCOUNTS OF CHEMICAL RESEARCH

Exploiting Metal–Ligand Bifunctional Reactions in the Design of Iron Asymmetric Hydrogenation Catalysts

(2015) Robert H. Morris   ACCOUNTS OF CHEMICAL RESEARCH

Metal-Ligand Cooperation

(2015) Julia R. Khusnutdinova et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen-activating models of hydrogenases

(2015) Tao Xu et al.   COORDINATION CHEMISTRY REVIEWS

Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen

(2015) Samantha J. Connelly et al.   DALTON TRANSACTIONS

Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines

(2015) Shaoguang Zhang et al.   INORGANIC CHEMISTRY

Heterolytic Activation of Dihydrogen Molecule by Hydroxo-/Sulfido-Bridged Ruthenium–Germanium Dinuclear Complex. Theoretical Insights

(2015) Noriaki Ochi et al.   INORGANIC CHEMISTRY

Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen

(2015) Simone Raugei et al.   INORGANIC CHEMISTRY

How Formaldehyde Inhibits Hydrogen Evolution by [FeFe]-Hydrogenases: Determination by 13C ENDOR of Direct Fe–C Coordination and Order of Electron and Proton Transfers

(2015) Andreas Bachmeier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration

(2015) Jacob B. Geri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2

(2015) Tianbiao Liu et al.   ORGANOMETALLICS

Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay

(2015) Jonathan M. Darmon et al.   Chemical Science

Manganese-Based Molecular Electrocatalysts for Oxidation of Hydrogen

(2015) Elliott B. Hulley et al.   ACS Catalysis

Ketone Hydrogenation with Iridium Complexes with “non N–H” Ligands: The Key Role of the Strong Base

(2015) Joseph M. Hayes et al.   ACS Catalysis

Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H⋅⋅⋅H-N Dihydrogen Bond Characterized by Neutron Diffraction

(2014) Tianbiao Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogenases

(2014) Wolfgang Lubitz et al.   CHEMICAL REVIEWS

Platinum Complexes of a Borane-Appended Analogue of 1,1′-Bis(diphenylphosphino)ferrocene: Flexible Borane Coordination Modes and in situ Vinylborane Formation

(2014) Bradley E. Cowie et al.   CHEMISTRY-A EUROPEAN JOURNAL

Electrocatalytic H2 production with a turnover frequency >107 s−1: the medium provides an increase in rate but not overpotential

(2014) Jianbo Hou et al.   Energy & Environmental Science

Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal–Borane Interaction Promoted by a Small Bite-Angle LZ Chelate

(2014) Brandon R. Barnett et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept

(2014) Kai F. Kalz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unravelling the Mechanism of the Asymmetric Hydrogenation of Acetophenone by [RuX2(diphosphine)(1,2-diamine)] Catalysts

(2014) Pavel A. Dub et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iron Catalysts Containing Amine(imine)diphosphine P-NH-N-P Ligands Catalyze both the Asymmetric Hydrogenation and Asymmetric Transfer Hydrogenation of Ketones

(2014) Weiwei Zuo et al.   ORGANOMETALLICS

Heterolytic cleavage of H2 by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning

(2014) Elliott B. Hulley et al.   Chemical Science

Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres

(2014) Jonathan M. Darmon et al.   ACS Catalysis

Combinations of Ethers and B(C6F5)3Function as Hydrogenation Catalysts

(2013) Lindsay J. Hounjet et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides

(2013) R. Morris Bullock et al.   CHEMICAL COMMUNICATIONS

Quantum Chemical Calculations with the Inclusion of Nonspecific and Specific Solvation: Asymmetric Transfer Hydrogenation with Bifunctional Ruthenium Catalysts

(2013) Pavel A. Dub et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Activation of H2 under Mild Conditions by an [FeFe]-Hydrogenase Model via an Active μ-Hydride Species

(2013) Ning Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rapid, Reversible Heterolytic Cleavage of Bound H2

(2013) Elliott B. Hulley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors

(2013) Brian C. Manor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere

(2013) Jenny Y. Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

(2013) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen

(2013) Tianbiao Liu et al.   Nature Chemistry

Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation

(2013) James A. Franz et al.   ORGANOMETALLICS

Heterolytic H2 Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane

(2013) Henry Fong et al.   ORGANOMETALLICS

A Functional [NiFe]Hydrogenase Mimic That Catalyzes Electron and Hydride Transfer from H2

(2013) S. Ogo et al.   SCIENCE

Amine(imine)diphosphine Iron Catalysts for Asymmetric Transfer Hydrogenation of Ketones and Imines

(2013) W. Zuo et al.   SCIENCE

Transition Metal Frustrated Lewis Pairs

(2013) Stephanie R. Flynn et al.   ACS Catalysis

Hydrogen atom storage upon Z-class borane ligand functions: an alternative approach to ligand cooperation

(2012) Gareth R. Owen   CHEMICAL SOCIETY REVIEWS

The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes

(2012) Simone Raugei et al.   CHEMISTRY-A EUROPEAN JOURNAL

Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with –P(C6F5)2 Lewis base components

(2012) Annika Stute et al.   DALTON TRANSACTIONS

Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2

(2012) Tianbiao Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate

(2012) Maria E. Carroll et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reversible H2 Addition across a Nickel–Borane Unit as a Promising Strategy for Catalysis

(2012) W. Hill Harman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Inner-Sphere Activation, Outer-Sphere Catalysis: Theoretical Study on the Mechanism of Transfer Hydrogenation of Ketones Using Iron(II) PNNP Eneamido Complexes

(2012) Demyan E. Prokopchuk et al.   ORGANOMETALLICS

Metal–Ligand Cooperation by Aromatization–Dearomatization: A New Paradigm in Bond Activation and “Green” Catalysis

(2011) Chidambaram Gunanathan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+Complexes as Electrocatalysts for H2Production: Substituent Variation at the Phosphorus Atom of the P2N2Ligand

(2011) Uriah J. Kilgore et al.   INORGANIC CHEMISTRY

Mild Redox Complementation Enables H2Activation by [FeFe]-Hydrogenase Models

(2011) James M. Camara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene–Phosphinoaryloxide Complexes

(2011) Andy M. Chapman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

[Ni(PPh2NC6H4X2)2]2+Complexes as Electrocatalysts for H2Production: Effect of Substituents, Acids, and Water on Catalytic Rates

(2011) Uriah J. Kilgore et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Combining acid–base, redox and substrate binding functionalities to give a complete model for the [FeFe]-hydrogenase

(2011) James M. Camara et al.   Nature Chemistry

Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair

(2011) Christoph Rosorius et al.   ORGANOMETALLICS

Iron-Chromophore Circular Dichroism of [Fe]-Hydrogenase: The Conformational Change Required for H2 Activation

(2010) Seigo Shima et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs Revisited

(2010) Stefan Grimme et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Double addition of H2to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres

(2010) Nikolaos Tsoureas et al.   CHEMICAL COMMUNICATIONS

Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands with Pendant Amines

(2010) Kevin D. Welch et al.   ORGANOMETALLICS

Theoretical study on the mechanism of H2activation mediated by two transition metal thiolate complexes: Homolytic for Ir, heterolytic for Rh

(2009) Jingcong Tao et al.   DALTON TRANSACTIONS

Mechanistic Insights into Catalytic H2Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base

(2009) Jenny Y. Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Heterolytic Cleavage of Hydrogen Molecule by Rhodium Thiolate Complexes That Catalyze Chemoselective Hydrogenation of Imines under Ambient Conditions

(2009) Yoshiyuki Misumi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Heterolytic Dihydrogen Activation by a Sulfido- and Oxo-Bridged Dinuclear Germanium–Ruthenium Complex

(2008) Tsuyoshi Matsumoto et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cooperating Ligands in Catalysis

(2008) Hansjörg Grützmacher   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enzymes as Working or Inspirational Electrocatalysts for Fuel Cells and Electrolysis

(2008) James A. Cracknell et al.   CHEMICAL REVIEWS

Gold-Catalyzed Organic Transformations

(2008) Zigang Li et al.   CHEMICAL REVIEWS

Reversible Heterolysis of H2Mediated by an M−S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase

(2008) Yasuhiro Ohki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY