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Title: Thermodynamic Hydricity of Transition Metal Hydrides

Journal Article · · Chemical Reviews
 [1];  [2];  [2];  [1];  [2];  [1]
  1. Pacific Northwest National Laboratory, Richland, Washington 99352, United States
  2. Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-3290, United States
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Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0014255
OSTI ID:
1280195
Journal Information:
Chemical Reviews, Journal Name: Chemical Reviews Journal Issue: 15 Vol. 116; ISSN 0009-2665
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

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  • Ciancanelli, Rebecca; Noll, Bruce C.; DuBois, Daniel L.
  • Journal of the American Chemical Society, Vol. 124, Issue 12, p. 2984-2992 https://doi.org/10.1021/ja0122804
journal March 2002
Hydrocarbon Oxidation by Bis-μ-oxo Manganese Dimers:  Electron Transfer, Hydride Transfer, and Hydrogen Atom Transfer Mechanisms journal August 2002
Isolation and Crystal Structure of a Water-Soluble Iridium Hydride:  A Robust and Highly Active Catalyst for Acid-Catalyzed Transfer Hydrogenations of Carbonyl Compounds in Acidic Media journal April 2003
Thermodynamic Hydride Donor Abilities of [HW(CO) 4 L] - Complexes (L = PPh 3 , P(OMe) 3 , CO) and Their Reactions with [C 5 Me 5 Re(PMe 3 )(NO)(CO)] + journal October 2003
First Estimation of C 4 −H Bond Dissociation Energies of NADH and Its Radical Cation in Aqueous Solution journal December 2003
Hydricities of BzNADH, C 5 H 5 Mo(PMe 3 )(CO) 2 H, and C 5 Me 5 Mo(PMe 3 )(CO) 2 H in Acetonitrile journal March 2004
Equilibrium Thermodynamic Studies in Water:  Reactions of Dihydrogen with Rhodium(III) Porphyrins Relevant to Rh−Rh, Rh−H, and Rh−OH Bond Energetics journal March 2004
Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes journal May 2004
Biomimetic Hydrogen Evolution:  MoS 2 Nanoparticles as Catalyst for Hydrogen Evolution journal April 2005
Molybdenum−Sulfur Dimers as Electrocatalysts for the Production of Hydrogen at Low Overpotentials journal September 2005
On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o -R 2 P(Ph)BR‘ 2 journal September 2006
Kinetics of Hydrogen Atom Transfer from (η 5 -C 5 H 5 )Cr(CO) 3 H to Various Olefins:  Influence of Olefin Structure journal January 2007
Facile Heterolytic Cleavage of Dihydrogen by Phosphines and Boranes journal February 2007
Hydride, Hydrogen Atom, Proton, and Electron Transfer Driving Forces of Various Five-Membered Heterocyclic Organic Hydrides and Their Reaction Intermediates in Acetonitrile journal February 2008
Homogeneous CO Hydrogenation: Dihydrogen Activation Involves a Frustrated Lewis Pair Instead of a Platinum Complex journal March 2010
Development of an Efficient and Durable Photocatalytic System for Hydride Reduction of an NAD(P) + Model Compound Using a Ruthenium(II) Complex Based on Mechanistic Studies journal August 2010
Comprehensive Thermochemistry of W–H Bonding in the Metal Hydrides CpW(CO) 2 (IMes)H, [CpW(CO) 2 (IMes)H] •+ , and [CpW(CO) 2 (IMes)(H) 2 ] + . Influence of an N -Heterocyclic Carbene Ligand on Metal Hydride Bond Energies journal September 2011
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Efficient Catalytic Interconversion between NADH and NAD + Accompanied by Generation and Consumption of Hydrogen with a Water-Soluble Iridium Complex at Ambient Pressure and Temperature journal December 2011
Substituent Effects on Cobalt Diglyoxime Catalysts for Hydrogen Evolution journal November 2011
Directing the Reactivity of [HFe 4 N(CO) 12 ] − toward H + or CO 2 Reduction by Understanding the Electrocatalytic Mechanism journal November 2011
Water Oxidation Intermediates Applied to Catalysis: Benzyl Alcohol Oxidation journal February 2012
Reversible H 2 Addition across a Nickel–Borane Unit as a Promising Strategy for Catalysis journal March 2012
Thermodynamic and Kinetic Hydricity of Ruthenium(II) Hydride Complexes journal September 2012
Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere journal June 2013
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Hydrogenation of Carboxylic Acids Catalyzed by Half-Sandwich Complexes of Iridium and Rhodium journal October 2013
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An Electrochemical Study of Frustrated Lewis Pairs: A Metal-Free Route to Hydrogen Oxidation journal April 2014
Thermochemical Insight into the Reduction of CO to CH 3 OH with [Re(CO)] + and [Mn(CO)] + Complexes journal June 2014
Boryl–Metal Bonds Facilitate Cobalt/Nickel-Catalyzed Olefin Hydrogenation journal September 2014
Visible Light Driven Benzyl Alcohol Dehydrogenation in a Dye-Sensitized Photoelectrosynthesis Cell journal June 2014
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 journal July 2014
Photoswitchable Hydride Transfer from Iridium to 1-Methylnicotinamide Rationalized by Thermochemical Cycles journal October 2014
Enabling Catalytic Ketone Hydrogenation by Frustrated Lewis Pairs journal October 2014
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Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au + ) Derived from a Triphosphine−Borane journal December 2008
Cyclopentadienone Iron Alcohol Complexes: Synthesis, Reactivity, and Implications for the Mechanism of Iron-Catalyzed Hydrogenation of Aldehydes journal February 2009
Free Energy Landscapes for S−H Bonds in Cp* 2 Mo 2 S 4 Complexes journal April 2009
Hydricities of d 6 Metal Hydride Complexes in Water journal March 2009
Mechanistic Insights into Catalytic H 2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base journal April 2009
Making Hydrogen from Water Using a Homogeneous System Without Noble Metals journal July 2009
Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H 2 Activation and the Role of Acid−Base Properties journal August 2009
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Thermodynamic and Kinetic Studies of Hydride Transfer for a Series of Molybdenum and Tungsten Hydrides journal March 1999
Isotope Effects on Hydride Transfer Reactions from Transition Metal Hydrides to Trityl Cation. An Inverse Isotope Effect for a Hydride Transfer journal April 1999
Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine) 2 ]PF 6 Complexes (M = Pt, Ni) journal December 1999
Oxidation of Toluene by [(phen) 2 Mn(μ-O) 2 Mn(phen) 2 ] 4+ via Initial Hydride Abstraction journal December 1999
The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS 2 journal May 2015
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Frustrated Lewis Pairs journal August 2015
Solvation Effects on Transition Metal Hydricity journal November 2015
Aqueous Hydricity of Late Metal Catalysts as a Continuum Tuned by Ligands and the Medium journal February 2016
p K a Measurements of P(RNCH 2 CH 3 ) 3 N journal August 2000
Metal−Ligand Bifunctional Catalysis:  A Nonclassical Mechanism for Asymmetric Hydrogen Transfer between Alcohols and Carbonyl Compounds journal November 2001
Acidities of water and simple alcohols in dimethyl sulfoxide solution journal August 1980
Acid−Base Equilibria in Nonpolar Media. 4. Extension of the Self-Consistent Basicity Scale in THF Medium. Gas-Phase Basicities of Phosphazenes journal December 2003
Extension of the Self-Consistent Spectrophotometric Basicity Scale in Acetonitrile to a Full Span of 28 p K a Units:  Unification of Different Basicity Scales journal February 2005
A Comprehensive Self-Consistent Spectrophotometric Acidity Scale of Neutral Brønsted Acids in Acetonitrile journal March 2006
Pentakis(trifluoromethyl)phenyl, a Sterically Crowded and Electron-withdrawing Group:  Synthesis and Acidity of Pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline journal April 2008
Acid−Base Equilibria in Nonpolar Media. 1. A Spectrophotometric Method for Acidity Measurements in Heptane journal November 1997
Hydride Affinities of Arylcarbenium Ions and Iminium Ions in Dimethyl Sulfoxide and Acetonitrile journal July 1998
Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H 2 Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts journal January 2012
Thermodynamic Diagnosis of the Properties and Mechanism of Dihydropyridine-Type Compounds as Hydride Source in Acetonitrile with “Molecule ID Card” journal February 2010
The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials journal September 2008
Kinetic hydricity of transition-metal hydrides toward trityl cation journal September 1995
Generation of metal formyl complexes using nickel and platinum hydrides as reducing agents journal February 1993
Analytical study of a series of substituted (2,2'-bipyridyl)(pentamethylcyclopentadienyl)rhodium and -iridium complexes with regard to their effectiveness as redox catalysts for the indirect electrochemical and chemical reduction of NAD(P)+ journal May 1991
Relative reactivities of anionic transition metal hydrides. Reduction of alkyl halides journal April 1984
Selective reduction of acyl chlorides to aldehydes by anionic Group VIB transition metal hydrides journal October 1984
Relative reactivity and mechanistic studies of the hydride-transfer reagents HM(CO)4L-(M = Cr, W; L = CO, PR3) journal January 1985
Free-Energy Relationships between the Proton and Hydride Donor Abilities of [HNi(diphosphine) 2 ] + Complexes and the Half-Wave Potentials of Their Conjugate Bases journal April 2001
Alcohol Complexes of Tungsten Prepared by Ionic Hydrogenations of Ketones journal July 2001
Formation of Novel 1:1 Adducts Accompanied by Regioselective Hydride Transfer from Transition-Metal Hydrido Complexes to NAD(P) Models journal August 2001
Hydride Transfer from (η 5 -C 5 Me 5 )(CO) 2 MH (M = Fe, Ru, Os) to Trityl Cation:  Different Products from Different Metals and the Kinetics of Hydride Transfer journal May 2002
HRh(dppb) 2 , a Powerful Hydride Donor journal October 2002
Transition-Metal-Catalyzed Regeneration of Nicotinamide Coenzymes with Hydrogen 1 journal March 2003
Thermodynamic Studies of [HPt(EtXantphos) 2 ] + and [(H) 2 Pt(EtXantphos) 2 ] 2+ journal May 2004
Periodic Trends in Metal Hydride Donor Thermodynamics:  Measurement and Comparison of the Hydride Donor Abilities of the Series HM(PNP) 2 + (M = Ni, Pd, Pt; PNP = Et 2 PCH 2 N(Me)CH 2 PEt 2 ) journal February 2004
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Hydride Transfer from Rhodium Complexes to Triethylborane journal August 2006
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Homogeneous CO Hydrogenation: Ligand Effects on the Lewis Acid-Assisted Reductive Coupling of Carbon Monoxide journal October 2010
Thermodynamics of the Metal–Hydrogen Bonds in (η 5 -C 5 H 5 )M(CO) 2 H (M = Fe, Ru, Os) journal June 2011
Trialkylborane-Assisted CO 2 Reduction by Late Transition Metal Hydrides journal August 2011
Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations journal November 2011
Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides journal June 2012
Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base journal September 2012
Improved Catalytic Activity of Ruthenium–Arene Complexes in the Reduction of NAD + journal August 2012
Heterolytic H 2 Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane journal May 2013
A Thermodynamic Analysis of Rhenium(I)–Formyl C–H Bond Formation via Base-Assisted Heterolytic H 2 Cleavage in the Secondary Coordination Sphere journal September 2013
Formation of η 2 -Coordinated Dihydropyridine–Ruthenium(II) Complexes by Hydride Transfer from Ruthenium(II) to Pyridinium Cations journal October 2013
Effects of Phosphine–Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes journal April 2014
Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H 2 Production journal June 2014
Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H–H and O–H Bonds journal July 2014
Establishing the Hydride Donor Abilities of Main Group Hydrides journal May 2015
Calculated Hydride Donor Abilities of Five-Coordinate Transition Metal Hydrides [HM(diphosphine) 2 ] + (M = Ni, Pd, Pt) as a Function of the Bite Angle and Twist Angle of Diphosphine Ligands journal June 2008
Hydrogen Generation from Weak Acids: Electrochemical and Computational Studies in the [(η 5 -C 5 H 5 )Fe(CO) 2 ] 2 System journal September 2008
Determination of S−H Bond Strengths in Dimolybdenum Tetrasulfide Complexes journal February 2009
Single-Step Hydride Transfer from CpMo(CO) 2 (PPh 3 )H to Protonated Ketones journal January 1996
Understanding and exploiting C–H bond activation journal May 2002
Direct synthesis of formic acid from carbon dioxide by hydrogenation in acidic media journal June 2014
Ammonia–borane: the hydrogen source par excellence? journal January 2007
New approaches to hydrogen storage journal January 2009
B–N compounds for chemical hydrogenstorage journal January 2009
The roles of the first and second coordination spheres in the design of molecular catalysts for H 2 production and oxidation journal January 2009
Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels journal January 2009
σ-Acceptor, Z-type ligands for transition metals journal January 2011
Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADH–model ruthenium complexes journal January 2012
Comparison of primary oxidants for water-oxidation catalysis journal January 2013
Redox-active ligands in catalysis journal January 2013
Complexes of earth-abundant metals for catalytic electrochemical hydrogen generation under aqueous conditions journal January 2013
Catalysis of the electrochemical reduction of carbon dioxide journal January 2013
A thermodynamic and kinetic study of the heterolytic activation of hydrogen by frustrated borane–amine Lewis pairs journal January 2013
Hydrogen storage and evolution catalysed by metal hydride complexes journal January 2013
A novel type of hydride-transfer photocatalysis by Ru II –pyridine complexes: regiocontrolled reduction of an NAD(P) model compound by triethylamine journal January 1994
A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels journal January 2014
Molecular artificial photosynthesis journal January 2014
Facile Si–H bond activation and hydrosilylation catalysis mediated by a nickel–borane complex journal January 2014
Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen journal January 2015
Electrocatalytic H 2 production with a turnover frequency >10 7 s −1 : the medium provides an increase in rate but not overpotential journal January 2014
Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium–Triphos catalyst: from mechanistic investigations to multiphase catalysis journal January 2015
Visible light photocatalytic reduction of aldehydes by Rh( iii )–H: a detailed mechanistic study journal January 2015
Making C–H bonds with CO 2 : production of formate by molecular electrocatalysts journal January 2016
Iron catalyzed CO 2 hydrogenation to formate enhanced by Lewis acid co-catalysts journal January 2015
A pendant proton shuttle on [Fe 4 N(CO) 12 ] − alters product selectivity in formate vs. H 2 production via the hydride [H–Fe 4 N(CO) 12 ] − journal January 2016
Cyclopentadiene-mediated hydride transfer from rhodium complexes journal January 2016
Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel journal January 2016
Estimates of hydride ion stability in condensed systems: energy of formation and solvation in aqueous and polar-organic solvents journal January 2001
Catalytic ionic hydrogenations of ketones using molybdenum and tungsten complexesBased on the presentation given at Dalton Discussion No. 4, 10–13th January 2002, Kloster Banz, Germany. journal January 2002
Hydride ion-carrier ability in Rh(i) complexes of a nicotinamide-functionalised N-heterocyclic carbene ligand journal January 2010
Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime journal January 2011
Recent advances in catalytic hydrogenation of carbon dioxide journal January 2011
The development of aqueous transfer hydrogenation catalysts journal January 2011
Drastic difference in the photo-driven hydrogenation reactions of ruthenium complexes containing NAD model ligands journal January 2012
Heterolytic dihydrogen activation by B(C6F5)3 and carbonyl compounds journal January 2012
Using combinations of oxidants and bases as PCET reactants: thermochemical and practical considerations journal January 2012
Recent progress in electrochemical hydrogen production with earth-abundant metal complexes as catalysts journal January 2012
Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes journal January 2012
Very efficient reduction of NAD(P)+ with formate catalysed by cationic rhodium complexes journal January 1988
Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides journal January 2014
The coordination chemistry of organo-hydride donors: new prospects for efficient multi-electron reduction journal January 2013
Enzymes in organic synthesis: oxidoreductions journal January 1995
Predicting organic hydrogen atom transfer rate constants using the Marcus cross relation journal March 2010
Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production journal April 2012
Calculation of thermodynamic hydricities and the design of hydride donors for CO2 reduction journal July 2012
Role of pendant proton relays and proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman porphyrins journal October 2014
Nickel phlorin intermediate formed by proton-coupled electron transfer in hydrogen evolution mechanism journal December 2015
Ligand steals spotlight from metal to orchestrate hydrogen production journal January 2016
Proton–hydride tautomerism in hydrogen evolution catalysis journal May 2016
Metal-Hydrogen Bond Cleavage Reactions of Transition Metal Hydrides: Hydrogen Atom, Hydride, and Proton Transfer Reactions journal May 1991
Nitrosyl Substituted Hydride Complexes–An Activated Class of Compounds journal September 1994
Reversible, Metal-Free Hydrogen Activation journal November 2006
Identification of Active Edge Sites for Electrochemical H2 Evolution from MoS2 Nanocatalysts journal July 2007
Radical Ligands Confer Nobility on Base-Metal Catalysts journal February 2010
A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production journal August 2011
PROTON-COUPLED ELECTRON TRANSFER: A Reaction Chemist's View journal June 2004
Recommendations on reporting electrode potentials in nonaqueous solvents (Recommendations 1983) journal January 1984
L’incarnation d’une idée book January 1992

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