TRENDS IN STRUCTURE AND BONDING OF FISCHER TYPE CHROMIUM CARBENES AND SILYLENES - A DENSITY-FUNCTIONAL STUDY

被引：60

作者：

JACOBSEN, H ^{[1
]}

ZIEGLER, T ^{[1
]}

机构：

[1] UNIV CALGARY,DEPT CHEM,CALGARY,AB T2N 1N4,CANADA

来源：

ORGANOMETALLICS | 1995年 / 14卷 / 01期

关键词：

D O I：

10.1021/om00001a034

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Density functional calculations were performed on a variety of carbene and silylene complexes involving the chromium pentacarbonyl fragment (CO)(5)Cr=ER(2), with ER(2) = CH2, CF2, CCl2, CMe(2), CMe(OMe), SiH2, SiF2, SiCl2, SiMe(2), and SiMe(OMe). Further, a calculation on the base-stabilized silylene complex (CO)(5)Cr=Si(OPH3)Cl-2 has been included. A bond analysis reveals that, compared with carbene compounds, silylene complexes form only weak pi bonds with the metal center. Consequences for the coordination chemistry of silylene complexes as well as their reaction chemistry are discussed.

引用

页码：224 / 230

页数：7

共 68 条

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