Theoretical study of acetylide complexes of early transition metals

被引：9

作者：

DeAngelis, F

Re, N

Rosi, M

Sgamellotti, A

Floriani, C

机构：

[1] UNIV PERUGIA, DIPARTIMENTO CHIM, I-06123 PERUGIA, ITALY

[2] UNIV LAUSANNE, BCH, INST CHIM MINERALE & ANALYT, CH-1015 LAUSANNE, SWITZERLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1997年 / 20期

关键词：

D O I：

10.1039/a702369c

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Density-functional calculations have been carried out on the series of acetylide complexes [M(C2H)(OH)(3)] with M = Ti, V, or Cr to study the electronic structure and the bonding of the HC=C- moiety to early transition-metal fragments. Analogous calculations have been performed on a typical acetylide complex of late transition metals,[Fe(C2H)(eta-C5H5)(CO)(2)], to compare bonding and reactivity of these two classes of complexes.

引用

页码：3841 / 3844

页数：4

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