%0 Journal Article %A Gan, Lu %A Groy, Thomas L. %A Tarakeshwar, Pilarisetty %A K. S. Mazinani, Shobeir %A Shearer, Jason %A Mujica, Vladimiro %A Jones, Anne K. %D 2015 %T A Nickel Phosphine Complex as a Fast and Efficient Hydrogen Production Catalyst %U https://acs.figshare.com/articles/journal_contribution/A_Nickel_Phosphine_Complex_as_a_Fast_and_Efficient_Hydrogen_Production_Catalyst/2212237 %R 10.1021/ja509779q.s001 %2 https://acs.figshare.com/ndownloader/files/3847765 %K acidic solution %K electrocatalytic reduction %K 265 mV %K novel S 2P %K catalysi %K Nickel Phosphine Complex %K half activity %K turnover frequency %K DFT %K 4 h %K nickel center %K acid concentrations %K Efficient Hydrogen Production CatalystHere %X Here we report the electrocatalytic reduction of protons to hydrogen by a novel S2P2 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–1 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. %I ACS Publications