[RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects

Schneider, T. W.; Hren, M. T.; Ertem, M. Z.; Angeles-Boza, Alfredo M.

doi:10.1039/C8CC03009J

Title: [Ru^II(tpy)(bpy)Cl]⁺-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects

Abstract

¹³ C kinetic isotope effect determinations combined with DFT calculations provide insight on the CO ₂ reduction reaction catalyzed by a ruthenium complex.

Authors:

Schneider, T. W. ^[1]; Hren, M. T. ^[1];

^[2];

^[1]

Univ. of Connecticut, Storrs, CT (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Publication Date:: Sat Jul 07 00:00:00 EDT 2018

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

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

OSTI Identifier:: 1460826

Alternate Identifier(s):: OSTI ID: 1460466

Report Number(s):: BNL-207858-2018-JAAM
Journal ID: ISSN 1359-7345

Grant/Contract Number:: SC0012704

Resource Type:: Accepted Manuscript

Journal Name:: ChemComm

Additional Journal Information:: Journal Volume: 54; Journal Issue: 61; Journal ID: ISSN 1359-7345

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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

Citation Formats


                    Schneider, T. W., Hren, M. T., Ertem, M. Z., and Angeles-Boza, Alfredo M. [RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects.  United States: N. p., 2018. 
Web.  doi:10.1039/C8CC03009J.

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                    Schneider, T. W., Hren, M. T., Ertem, M. Z., & Angeles-Boza, Alfredo M. [RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects.  United States.  https://doi.org/10.1039/C8CC03009J

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                    Schneider, T. W., Hren, M. T., Ertem, M. Z., and Angeles-Boza, Alfredo M. Sat .  
"[RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects".  United States.  https://doi.org/10.1039/C8CC03009J.  https://www.osti.gov/servlets/purl/1460826.

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@article{osti_1460826,

  title        = {[RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects},

  author       = {Schneider, T. W. and Hren, M. T. and Ertem, M. Z. and Angeles-Boza, Alfredo M.},

  abstractNote = {13 C kinetic isotope effect determinations combined with DFT calculations provide insight on the CO 2 reduction reaction catalyzed by a ruthenium complex.},

  doi          = {10.1039/C8CC03009J},

  journal      = {ChemComm},

  number       = 61,

  volume       = 54,

  place        = {United States},

  year         = {Sat Jul 07 00:00:00 EDT 2018},

  month        = {Sat Jul 07 00:00:00 EDT 2018}

}

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Journal Article:

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https://doi.org/10.1039/C8CC03009J

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Cited by: 10 works

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Figures / Tables:

Figure 1: Schematic representations of [Ru^II(tpy)(bpy)Cl]⁺ (1) and [Ru^II(tpy)(bpy)H]⁺ (2)

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Works referenced in this record:

Quantitative Photochemical Formation of [Ru(tpy)(bpy)H] ⁺
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Matsubara, Yasuo; Konno, Hideo; Kobayashi, Atsuo
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Mechanistic Insight from Activation Parameters for the Reaction of a Ruthenium Hydride Complex with CO ₂ in Conventional Solvents and an Ionic Liquid
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Works referencing / citing this record:

Efficient labeling of organic molecules using ¹³ C elemental carbon: universal access to ¹³ C ₂ -labeled synthetic building blocks, polymers and pharmaceuticals
journal, January 2020

Ledovskaya, Maria S.; Voronin, Vladimir V.; Rodygin, Konstantin S.
Organic Chemistry Frontiers, Vol. 7, Issue 4
DOI: 10.1039/c9qo01357a

Figures / Tables found in this record:

Figure 1 (p. 3)

Figure 2 (p. 4)

Scheme 1 (p. 5)

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Title: [RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects

Abstract

Citation Formats

Figures / Tables:

Quantitative Photochemical Formation of [Ru(tpy)(bpy)H] + journal, November 2009

Density Functionals with Broad Applicability in Chemistry journal, February 2008

Thermodynamic and Kinetic Hydricity of Ruthenium(II) Hydride Complexes journal, September 2012

Mechanistic Insight from Activation Parameters for the Reaction of a Ruthenium Hydride Complex with CO 2 in Conventional Solvents and an Ionic Liquid journal, June 2012

Studies of the Di-iron(VI) Intermediate in Ferrate-Dependent Oxygen Evolution from Water journal, September 2012

Mechanistic insights into electrocatalytic CO 2 reduction within [Ru II (tpy)(NN)X] n+ architectures journal, January 2014

New nickel–carbon dioxide complex: synthesis, properties, and crystallographic characterization of (carbon dioxide)-bis(tricyclohexylphosphine)nickel journal, January 1975

Supramolecular Photocatalysts for the Reduction of CO 2 journal, April 2017

Electrocatalytic reduction of CO2 to CO by polypyridyl ruthenium complexes journal, January 2011

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 journal, May 2009

Molecular polypyridine-based metal complexes as catalysts for the reduction of CO 2 journal, January 2017

Formation of a metal-hydride bond and the insertion of carbon dioxide. Key steps in the electrocatalytic reduction of carbon dioxide to formate anion journal, January 1991

Measurement of rates of electron transfer between tris(2,2'-bipyridine)ruthenium(3+) and tris(1,10-phenanthroline)iron(2+) ions and between tris(1,10-phenanthroline)ruthenium(3+) and tris(2,2'-bipyridine)ruthenium(2+) ions by differential excitation flash photolysis journal, April 1977

Oxygen Kinetic Isotope Effects upon Catalytic Water Oxidation by a Monomeric Ruthenium Complex journal, March 2012

Competitive 13 C and 18 O kinetic isotope effects on CO 2 reduction catalyzed by Re(bpy)(CO) 3 Cl journal, January 2015

(Carbon dioxide)bis(trialkylphosphine)nickel complexes journal, January 1977

Structure–Reactivity Effects on Intrinsic Primary Kinetic Isotope Effects for Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase journal, October 2016

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Interpretation of V/K isotope effects for enzymatic reactions exhibiting multiple isotopically sensitive steps journal, December 2006

Synthesis and properties of [Ru(tpy)(4,4′-X2bpy)H]+ (tpy=2,2′:6′,2″-terpyridine, bpy=2,2′-bipyridine, X=H and MeO), and their reactions with CO2 journal, March 2000

Photocatalytic Reduction of Carbon Dioxide to CO and HCO 2 H Using fac -Mn(CN)(bpy)(CO) 3 journal, March 2016

Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation journal, June 2013

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Title: [Ru^II(tpy)(bpy)Cl]⁺-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects

Quantitative Photochemical Formation of [Ru(tpy)(bpy)H] ⁺
journal, November 2009

Density Functionals with Broad Applicability in Chemistry
journal, February 2008

Thermodynamic and Kinetic Hydricity of Ruthenium(II) Hydride Complexes
journal, September 2012

Mechanistic Insight from Activation Parameters for the Reaction of a Ruthenium Hydride Complex with CO ₂ in Conventional Solvents and an Ionic Liquid
journal, June 2012

Studies of the Di-iron(VI) Intermediate in Ferrate-Dependent Oxygen Evolution from Water
journal, September 2012

Mechanistic insights into electrocatalytic CO ₂ reduction within [Ru ^II (tpy)(NN)X] ⁿ⁺ architectures
journal, January 2014

New nickel–carbon dioxide complex: synthesis, properties, and crystallographic characterization of (carbon dioxide)-bis(tricyclohexylphosphine)nickel
journal, January 1975

Supramolecular Photocatalysts for the Reduction of CO ₂
journal, April 2017

Electrocatalytic reduction of CO2 to CO by polypyridyl ruthenium complexes
journal, January 2011

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
journal, May 2009

Molecular polypyridine-based metal complexes as catalysts for the reduction of CO ₂
journal, January 2017

Formation of a metal-hydride bond and the insertion of carbon dioxide. Key steps in the electrocatalytic reduction of carbon dioxide to formate anion
journal, January 1991

Measurement of rates of electron transfer between tris(2,2'-bipyridine)ruthenium(3+) and tris(1,10-phenanthroline)iron(2+) ions and between tris(1,10-phenanthroline)ruthenium(3+) and tris(2,2'-bipyridine)ruthenium(2+) ions by differential excitation flash photolysis
journal, April 1977

Oxygen Kinetic Isotope Effects upon Catalytic Water Oxidation by a Monomeric Ruthenium Complex
journal, March 2012

Competitive ¹³ C and ¹⁸ O kinetic isotope effects on CO ₂ reduction catalyzed by Re(bpy)(CO) ₃ Cl
journal, January 2015

(Carbon dioxide)bis(trialkylphosphine)nickel complexes
journal, January 1977

Structure–Reactivity Effects on Intrinsic Primary Kinetic Isotope Effects for Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase
journal, October 2016

Mechanism of Manganese-Catalyzed Oxygen Evolution from Experimental and Theoretical Analyses of ¹⁸ O Kinetic Isotope Effects
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Kinetic Isotope Effects (KIE) and Density Functional Theory (DFT): A Match Made in Heaven?
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Activating a Low Overpotential CO ₂ Reduction Mechanism by a Strategic Ligand Modification on a Ruthenium Polypyridyl Catalyst
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journal, July 2016

Interpretation of V/K isotope effects for enzymatic reactions exhibiting multiple isotopically sensitive steps
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Synthesis and properties of [Ru(tpy)(4,4′-X2bpy)H]+ (tpy=2,2′:6′,2″-terpyridine, bpy=2,2′-bipyridine, X=H and MeO), and their reactions with CO2
journal, March 2000

Photocatalytic Reduction of Carbon Dioxide to CO and HCO ₂ H Using fac -Mn(CN)(bpy)(CO) ₃
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