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Indexed by:期刊论文

Date of Publication:2015-06-07

Journal:DALTON TRANSACTIONS

Included Journals:SCIE、EI、Scopus

Volume:44

Issue:21

Page Number:9736-9739

ISSN No.: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.