Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2015-06-07

Journal: DALTON TRANSACTIONS

Included Journals: Scopus、EI、SCIE

Volume: 44

Issue: 21

Page Number: 9736-9739

ISSN: 1477-9226

Abstract: The mechanism of water reduction catalysed by a mononuclear copper complex Cu(bztpen) (bztpen = N-benzyl-N, N', N'-tris(pyridine-2-ylmethyl) ethylenediamine) has been elucidated by DFT calculations, revealing that hydrogen evolution proceeds via coupling of a Cu(II)-hydride and a pendant pyridinium, and providing important implications for the future design of new catalytic systems for water reduction.