Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation

Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.

doi:10.1039/C8DT02661K

Title: Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation

Abstract

Tetrahedral cobalt( ii ) hydrocarbyl and CO reversibly form acylcobalt, coupling to give α-hydroxyketone compounds, or oxygenation with O ₂ to cobalt( ii ) carboxylates.

Authors:

Reinig, Regina R. ^[1]; Fought, Ellie L. ^[1]; Ellern, Arkady ^[1]; Windus, Theresa L. ^[1];

^[1]

Iowa State Univ., Ames, IA (United States)

Publication Date:: 2018-07-30

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1464488

Alternate Identifier(s):: OSTI ID: 1463748

Report Number(s):: IS-J-9719
Journal ID: ISSN 1477-9226

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Dalton Transactions

Additional Journal Information:: Journal Volume: 47; Journal Issue: 35; Journal ID: ISSN 1477-9226

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Reinig, Regina R., Fought, Ellie L., Ellern, Arkady, Windus, Theresa L., and Sadow, Aaron D. Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation.  United States: N. p., 2018. 
Web.  doi:10.1039/C8DT02661K.

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                    Reinig, Regina R., Fought, Ellie L., Ellern, Arkady, Windus, Theresa L., & Sadow, Aaron D. Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation.  United States.  https://doi.org/10.1039/C8DT02661K

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                    Reinig, Regina R., Fought, Ellie L., Ellern, Arkady, Windus, Theresa L., and Sadow, Aaron D. Mon .  
"Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation".  United States.  https://doi.org/10.1039/C8DT02661K.  https://www.osti.gov/servlets/purl/1464488.

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@article{osti_1464488,

  title        = {Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation},

  author       = {Reinig, Regina R. and Fought, Ellie L. and Ellern, Arkady and Windus, Theresa L. and Sadow, Aaron D.},

  abstractNote = {Tetrahedral cobalt( ii ) hydrocarbyl and CO reversibly form acylcobalt, coupling to give α-hydroxyketone compounds, or oxygenation with O 2 to cobalt( ii ) carboxylates.},

  doi          = {10.1039/C8DT02661K},

  journal      = {Dalton Transactions},

  number       = 35,

  volume       = 47,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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Title: Cobalt(ii) acyl intermediates in carbon–carbon bond formation and oxygenation

Abstract

Citation Formats

Acetogenesis and the Wood–Ljungdahl pathway of CO2 fixation journal, December 2008

Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, Tp i Pr2 Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (Tp i Pr2 ) journal, September 2002

Relativistic and correlation effects for element 105 (hahnium, Ha): a comparative study of M and MO (M = Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials journal, June 1993

Structural and spectroscopic models of the A-cluster of acetyl coenzyme a synthase/carbon monoxide dehydrogenase: Nature's Monsanto acetic acid catalyst journal, December 2005

Acetyl-coenzyme A synthase: the case for a Nip0-based mechanism of catalysis journal, June 2004

High-Spin Organocobalt(II) Complexes in a Thioether Coordination Environment journal, February 2007

Model Complexes of Cobalt-Substituted Matrix Metalloproteinases: Tools for Inhibitor Design journal, September 2006

Oxidative Carbonylation Reactions: Organometallic Compounds (RM) or Hydrocarbons (RH) as Nucleophiles journal, September 2011

Palladium Oxidase Catalysis: Selective Oxidation of Organic Chemicals by Direct Dioxygen-Coupled Turnover journal, June 2004

Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols journal, May 2011

Acylzirconocene Chloride as an “Unmasked” Acyl Anion journal, July 1998

General atomic and molecular electronic structure system journal, November 1993

Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates: Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates journal, April 2016

NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist journal, May 2010

Tetrahedral, Highly Coordinatively Unsaturated 14e (Fe) and 15e (Co) Hydrocarbyl Complexes Bearing Hydrotris(pyrazolyl)borato Ligands (Tp R ‘ ), Tp R ‘ M−R (M = Fe, Co, Ni) journal, August 2001

Mechanisms of carbon monoxide reduction with zirconium hydrides journal, April 1980

Transition Metal-Catalyzed Oxidative Carbonylation of Amines to Ureas journal, September 2007

The Synthesis, Structure, and Reactivity of Phenyl Tris(3- tert -butylpyrazolyl)borato Iron Methyl, [PhTp Bu t ]FeMe: Isolation of a Four-Coordinate Monovalent Iron Carbonyl Complex, [PhTp Bu t ]FeCO journal, October 1998

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient journal, January 1993

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions journal, January 1980

Structures, Physicochemical Properties, and Reactivities of Cobalt(II) Complexes Supported by a Homoscorpionate (Tris(pyrazolyl)borate) Ligand Tp Ph,Me journal, December 2011

Molecular cobalt electrocatalyst for proton reduction at low overpotential journal, January 2014

Concerted C−N and C−H Bond Formation in a Magnesium-Catalyzed Hydroamination journal, December 2010

Structural variation in copper( i ) complexes with pyridylmethylamide ligands: structural analysis with a new four-coordinate geometry index, τ 4 journal, January 2007

Thermally stable coordinatively unsaturated alkyl complexes resistant to β-hydride elimination: TpiPrM–CH2CH3 (M = Co, Fe) journal, January 1999

Paramagnetic Alkyl, Hydride, and Alkene Complexes of the Tp t -Bu,Me Co Moiety journal, February 1999

Organometallic Cobalt(II) and Nickel(II) Complexes Supported by Thioether Ligation: Unexpected Nickel Alkylation by the Borato Ligand Phenyltris(( tert -butylthio)methyl)borate journal, January 2001

Synthesis of .alpha.-hydroxy ketones by direct, low-temperature, in situ nucleophilic acylation of aldehydes and ketones by acyllithium reagents journal, October 1992

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations journal, September 2010

Rationale for mixing exact exchange with density functional approximations journal, December 1996

Can Spin State Change Slow Organometallic Reactions? journal, November 1995

Characterization of the Elusive Rhodizonate Ring-Contraction Decarbonylation C 5 O 4 (OH)CO 2 Me 2− Intermediate to Croconate journal, October 2013

Structural Distortion of the TpCo-L Fragment (Tp = tris(pyrazolyl)borate). Analysis by X-ray Diffraction and Density Functional Theory journal, January 1996

Rapid and ordered carbonylation and oxygenation of a cobalt( ii ) methyl journal, January 2017

Synthesis, structure, and spectroscopic properties of copper( II ) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper( II ) perchlorate journal, January 1984

Metals and Their Scaffolds To Promote Difficult Enzymatic Reactions journal, August 2006

Spin Crossover during β-Hydride Elimination in High-Spin Iron(II)– and Cobalt(II)–Alkyl Complexes journal, August 2013

Iron, cobalt, and nickel complexes having anomalous magnetic moments journal, January 1968

Metals and Their Scaffolds to Promote Difficult Enzymatic Reactions journal, November 2006

Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays journal, May 2020

Palladium Oxidase Catalysis: Selective Oxidation of Organic Chemicals by Direct Dioxygen-Coupled Turnover journal, September 2004

Acetogenesis and the Wood–Ljungdahl pathway of CO₂ fixation
journal, December 2008

Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, Tp ⁱ ^{^Pr2 Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (Tp ⁱ ^{^Pr2 )}}
journal, September 2002

Relativistic and correlation effects for element 105 (hahnium, Ha): a comparative study of M and MO (M = Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials
journal, June 1993

Structural and spectroscopic models of the A-cluster of acetyl coenzyme a synthase/carbon monoxide dehydrogenase: Nature's Monsanto acetic acid catalyst
journal, December 2005

Acetyl-coenzyme A synthase: the case for a Nip0-based mechanism of catalysis
journal, June 2004

High-Spin Organocobalt(II) Complexes in a Thioether Coordination Environment
journal, February 2007

Model Complexes of Cobalt-Substituted Matrix Metalloproteinases: Tools for Inhibitor Design
journal, September 2006

Oxidative Carbonylation Reactions: Organometallic Compounds (RM) or Hydrocarbons (RH) as Nucleophiles
journal, September 2011

Palladium Oxidase Catalysis: Selective Oxidation of Organic Chemicals by Direct Dioxygen-Coupled Turnover
journal, June 2004

Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols
journal, May 2011

Acylzirconocene Chloride as an “Unmasked” Acyl Anion
journal, July 1998

General atomic and molecular electronic structure system
journal, November 1993

Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates: Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates
journal, April 2016

NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist
journal, May 2010

Tetrahedral, Highly Coordinatively Unsaturated 14e (Fe) and 15e (Co) Hydrocarbyl Complexes Bearing Hydrotris(pyrazolyl)borato Ligands (Tp ^R ^‘ ), Tp ^R ^‘ M−R (M = Fe, Co, Ni)
journal, August 2001

Mechanisms of carbon monoxide reduction with zirconium hydrides
journal, April 1980

Transition Metal-Catalyzed Oxidative Carbonylation of Amines to Ureas
journal, September 2007

The Synthesis, Structure, and Reactivity of Phenyl Tris(3- tert -butylpyrazolyl)borato Iron Methyl, [PhTp ^Bu ^{^{^t} ]FeMe: Isolation of a Four-Coordinate Monovalent Iron Carbonyl Complex, [PhTp ^Bu ^{^{^t} ]FeCO}}
journal, October 1998

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
journal, January 1993

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
journal, January 1980

Structures, Physicochemical Properties, and Reactivities of Cobalt(II) Complexes Supported by a Homoscorpionate (Tris(pyrazolyl)borate) Ligand Tp ^Ph,Me
journal, December 2011

Molecular cobalt electrocatalyst for proton reduction at low overpotential
journal, January 2014

Concerted C−N and C−H Bond Formation in a Magnesium-Catalyzed Hydroamination
journal, December 2010

Structural variation in copper( i ) complexes with pyridylmethylamide ligands: structural analysis with a new four-coordinate geometry index, τ ₄
journal, January 2007

Thermally stable coordinatively unsaturated alkyl complexes resistant to β-hydride elimination: TpiPrM–CH2CH3 (M = Co, Fe)
journal, January 1999

Paramagnetic Alkyl, Hydride, and Alkene Complexes of the Tp ^t ^-Bu,Me Co Moiety
journal, February 1999

Organometallic Cobalt(II) and Nickel(II) Complexes Supported by Thioether Ligation: Unexpected Nickel Alkylation by the Borato Ligand Phenyltris(( tert -butylthio)methyl)borate
journal, January 2001

Synthesis of .alpha.-hydroxy ketones by direct, low-temperature, in situ nucleophilic acylation of aldehydes and ketones by acyllithium reagents
journal, October 1992

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

Can Spin State Change Slow Organometallic Reactions?
journal, November 1995

Characterization of the Elusive Rhodizonate Ring-Contraction Decarbonylation C ₅ O ₄ (OH)CO ₂ Me ²⁻ Intermediate to Croconate
journal, October 2013

Structural Distortion of the TpCo-L Fragment (Tp = tris(pyrazolyl)borate). Analysis by X-ray Diffraction and Density Functional Theory
journal, January 1996

Rapid and ordered carbonylation and oxygenation of a cobalt( ii ) methyl
journal, January 2017

Synthesis, structure, and spectroscopic properties of copper( II ) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper( II ) perchlorate
journal, January 1984

Metals and Their Scaffolds To Promote Difficult Enzymatic Reactions
journal, August 2006

Spin Crossover during β-Hydride Elimination in High-Spin Iron(II)– and Cobalt(II)–Alkyl Complexes
journal, August 2013

Iron, cobalt, and nickel complexes having anomalous magnetic moments
journal, January 1968

Metals and Their Scaffolds to Promote Difficult Enzymatic Reactions
journal, November 2006

Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays
journal, May 2020

Palladium Oxidase Catalysis: Selective Oxidation of Organic Chemicals by Direct Dioxygen-Coupled Turnover
journal, September 2004