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

Energy & Environmental Science & Technology

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

140 Scopus citations

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
State	Published - Jul 30 2007

Access to Document

10.1021/om070143v

Cite this

@article{a163c3b0c983449f9909e45422ac4e7a,

title = "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",

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.",

author = "Kendra Fraze and Wilson, \{Aaron D.\} and Appel, \{Aaron M.\} and DuBois, \{M. Rakowski\} and Dubois, \{Daniel L.\}",

year = "2007",

month = jul,

day = "30",

doi = "10.1021/om070143v",

language = "English",

volume = "26",

pages = "3918--3924",

journal = "Organometallics",

issn = "0276-7333",

publisher = "American Chemical Society",

number = "16",

}

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

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

TY - JOUR

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 M.

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.

UR - https://www.scopus.com/pages/publications/34547764774

U2 - 10.1021/om070143v

DO - 10.1021/om070143v

M3 - Article

AN - SCOPUS:34547764774

SN - 0276-7333

VL - 26

SP - 3918

EP - 3924

JO - Organometallics

JF - Organometallics

IS - 16

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this