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.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry