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 M. Appel; M. Rakowski DuBois; Daniel L. Dubois

doi:10.1021/om070143v

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 M. Appel, M. Rakowski DuBois, Daniel L. Dubois

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article › peer-review

120 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 language	English
Pages (from-to)	3918-3924
Number of pages	7
Journal	Organometallics
Volume	26
Issue number	16
DOIs	https://doi.org/10.1021/om070143v
Publication status	Published - Jul 30 2007

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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

In: Organometallics, Vol. 26, No. 16, 30.07.2007, p. 3918-3924.

Research output: Contribution to journal › Article › peer-review

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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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AU - Dubois, Daniel L.

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