A theoretical DFT study of the mechanism of C-C bond hydrogenolysis in alkanes on silica-supported zirconium hydrides

被引：20

作者：

Besedin, DV ^{[1
]}

Ustynyuk, LY ^{[1
]}

Ustynyuk, YA ^{[1
]}

Lunin, VV ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia

来源：

MENDELEEV COMMUNICATIONS | 2002年 / 05期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1070/MC2002v012n05ABEH001645

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A DFT study of C-C bond hydrogenolysis in alkanes on silica-supported zirconium monohydrides (=Si-O)(3)ZrH and dihydrides (=Si-O)(2)ZrH2 shows that only the latter are capable of catalysing this process under mild conditions.

引用

页码：173 / 175

页数：3

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