Thermodynamic properties of the Ni - H bond in complexes of the type [HNi(P 2 RN 2 R′) 2](BF 4) and evaluation of factors that control catalytic activity for hydrogen oxidation/production

Kendra Fraze, Aaron D. Wilson, Aaron Appel, M. Rakowski DuBois, Daniel L DuBois

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113 Citations (Scopus)

Abstract

Thermodynamic data for hydride complexes of the general formula [HNi(P 2 RN 2 R′) 2](BF 4), 3, which have been reported previously to function as effective catalysts for the electrochemical oxidation or production of hydrogen, have been determined. Values of ΔG o H+, ΔG o H-, and ΔG o H- have been determined for 3a where R = Cy, R′ = Bz, for 3b where R = R′ = Ph, and for the new complex 3c, R = Ph, R′ = B z. In addition, the ΔG values for the heterolytic addition of hydrogen to the Ni(II) precursor complexes [Ni(P 2 RN 2 R′) 2](BF 4) 2, 1a - c, have been determined experimentally or calculated. The data are useful for understanding the factors that control the catalytic activities observed for these complexes and for the design of additional catalysts.

Original languageEnglish
Pages (from-to)3918-3924
Number of pages7
JournalOrganometallics
Volume26
Issue number16
DOIs
Publication statusPublished - Jul 30 2007

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catalytic activity
Hydrogen
Catalyst activity
Thermodynamic properties
thermodynamic properties
catalysts
Oxidation
oxidation
Catalysts
electrochemical oxidation
evaluation
Electrochemical oxidation
hydrogen
Hydrides
hydrides
Thermodynamics
thermodynamics

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

Cite this

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abstract = "Thermodynamic data for hydride complexes of the general formula [HNi(P 2 RN 2 R′) 2](BF 4), 3, which have been reported previously to function as effective catalysts for the electrochemical oxidation or production of hydrogen, have been determined. Values of ΔG o H+, ΔG o H-, and ΔG o H- have been determined for 3a where R = Cy, R′ = Bz, for 3b where R = R′ = Ph, and for the new complex 3c, R = Ph, R′ = B z. In addition, the ΔG values for the heterolytic addition of hydrogen to the Ni(II) precursor complexes [Ni(P 2 RN 2 R′) 2](BF 4) 2, 1a - c, have been determined experimentally or calculated. The data are useful for understanding the factors that control the catalytic activities observed for these complexes and for the design of additional catalysts.",
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T1 - Thermodynamic properties of the Ni - H bond in complexes of the type [HNi(P 2 RN 2 R′) 2](BF 4) and evaluation of factors that control catalytic activity for hydrogen oxidation/production

AU - Fraze, Kendra

AU - Wilson, Aaron D.

AU - Appel, Aaron

AU - DuBois, M. Rakowski

AU - DuBois, Daniel L

PY - 2007/7/30

Y1 - 2007/7/30

N2 - Thermodynamic data for hydride complexes of the general formula [HNi(P 2 RN 2 R′) 2](BF 4), 3, which have been reported previously to function as effective catalysts for the electrochemical oxidation or production of hydrogen, have been determined. Values of ΔG o H+, ΔG o H-, and ΔG o H- have been determined for 3a where R = Cy, R′ = Bz, for 3b where R = R′ = Ph, and for the new complex 3c, R = Ph, R′ = B z. In addition, the ΔG values for the heterolytic addition of hydrogen to the Ni(II) precursor complexes [Ni(P 2 RN 2 R′) 2](BF 4) 2, 1a - c, have been determined experimentally or calculated. The data are useful for understanding the factors that control the catalytic activities observed for these complexes and for the design of additional catalysts.

AB - Thermodynamic data for hydride complexes of the general formula [HNi(P 2 RN 2 R′) 2](BF 4), 3, which have been reported previously to function as effective catalysts for the electrochemical oxidation or production of hydrogen, have been determined. Values of ΔG o H+, ΔG o H-, and ΔG o H- have been determined for 3a where R = Cy, R′ = Bz, for 3b where R = R′ = Ph, and for the new complex 3c, R = Ph, R′ = B z. In addition, the ΔG values for the heterolytic addition of hydrogen to the Ni(II) precursor complexes [Ni(P 2 RN 2 R′) 2](BF 4) 2, 1a - c, have been determined experimentally or calculated. The data are useful for understanding the factors that control the catalytic activities observed for these complexes and for the design of additional catalysts.

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