A Nickel
Phosphine Complex as a Fast and Efficient
Hydrogen Production Catalyst
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Abstract
Here
we report the electrocatalytic reduction of protons to hydrogen
by a novel S<sub>2</sub>P<sub>2</sub> coordinated nickel complex,
[Ni(bdt)(dppf)] (bdt = 1,2-benzenedithiolate, dppf = 1,1′-bis(diphenylphosphino)ferrocene).
The catalysis is fast and efficient with a turnover frequency of 1240
s<sup>–1</sup> and an overpotential of only 265 mV for half
activity at low acid concentrations. Furthermore, catalysis is possible
using a weak acid, and the complex is stable for at least 4 h in acidic
solution. Calculations of the system carried out at the density functional
level of theory (DFT) are consistent with a mechanism for catalysis
in which both protonations take place at the nickel center