The theoretical studies of interaction of transition-metals with silylene ligands (I) - Ab initio study of MSiH2+

Authors
Li, JH Feng, SY Gao, JJ Liu, SJ
Citation
Jh. Li et al., The theoretical studies of interaction of transition-metals with silylene ligands (I) - Ab initio study of MSiH2+, CHEM J CH U, 20(12), 1999, pp. 1906-1909
Citations number
10
Categorie Soggetti
Chemistry
Journal title
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN journal
02510790 → ACNP
Volume
20
Issue
12
Year of publication
1999
Pages
1906 - 1909
Database
ISI
SICI code
0251-0790(199912)20:12<1906:TTSOIO>2.0.ZU;2-E
Abstract
The HF/6-311+G* basis set was used to study the complexes of silylene,(SiH2 )-Si-1, with first-row transition-metal ions. The MSiH2 can be regarded as the result of coordination of (SiH2)-Si-1 with metal ions, and are of copla nar structure. Their M = Si bonds are obviously of double bond characterist ic. M = Si bond dissociation energies appear in periodic trends from Sc to Cu, and have an approximate linear relationship with metal ion promotion en ergies.