Luo Geng-Geng, Wang Yong-Heng, Wang Jiang-Hai, Wu Ji-Huai, Wu Rui-Bo
College of Materials Science and Engineering, Huaqiao University, Xiamen 361021, P. R. China.
Chem Commun (Camb). 2017 Jun 27;53(52):7007-7010. doi: 10.1039/c7cc01942d.
A square-planar nickel(ii) dithiolate complex is an active molecular catalyst for both photoreduction of protons from water with a turnover number (>1500) and electroreduction of protons from weakly acidic solutions with remarkable turnover frequencies (5575 s at -1.92 V and 1441 s at -1.61 V vs. SCE). DFT calculations provide in-depth insight into the catalytic cycle of the electrochemical reaction, suggesting that the sulfur atoms play crucial roles in proton exchange and hydrogen formation.
一种平面正方形的二硫醇镍（II）配合物是一种活性分子催化剂，既能用于光催化从水中还原质子，周转数大于1500，又能用于从弱酸性溶液中电催化还原质子，具有显著的周转频率（相对于饱和甘汞电极，在-1.92 V时为5575 s⁻¹，在-1.61 V时为1441 s⁻¹）。密度泛函理论计算深入揭示了电化学反应的催化循环，表明硫原子在质子交换和氢形成过程中起着关键作用。
