期刊
DALTON TRANSACTIONS
卷 42, 期 20, 页码 7271-7275出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3dt32884h
关键词
-
资金
- European Community [CP-FP 211468-2 EUMET]
- Spanish MICINN [RYC-2009-05226]
- European Commission [CIG09-GA-2011-293900]
Density functional theory calculations were used to predict the behaviour of a potential novel architecture of olefin metathesis catalysts, in which one of the neutral ligands of classical Ru-based catalysts, e. g. a phosphine or an N-heterocyclic carbene, is replaced by an alkylidene group. Introduction of a second alkylidene ligand favors dissociation of the remaining phosphine and the overall energy profile for the metathesis using ethylene as the probe substrate reveals that the proposed bis-alkylidene complexes might match the requirements of a good performing olefin metathesis catalyst.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据