The free energy for hydride donation (hydricity) was experimentally determined versus the heterolytic cleavage energy of hydrogen for [HNi(DHMPE)<sub>2</sub>][BF<sub>4</sub>] (DHMPE = 2-bis(bis(hydroxymethyl)phosphino)ethane) in acetonitrile, water, and dimethylsulfoxide. This work represents the first reported hydricity values for a transition metal hydride donor in three different solvents. The thermochemical values reveal solvation effects that impact the overall thermodynamic favorability of hydride generation from hydrogen and transfer to carbon dioxide. The use of hydricity to form a predictive model for electrocatalytic aqueous hydrogen production activity is described.

Solvation effects on transition metal hydricity and electrocatalytic aqueous hydrogen production

251st National Meeting (2016)

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