COMPARATIVE-STUDY OF THE BONDING IN TI(CH3)4 AND THE MODEL SYSTEM TIH4

被引：7

作者：

HOTOKKA, M

PYYKKO, P

机构：

[1] Department of Physical Chemistry, Åbo Akademi

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 1979年 / 174卷 / 03期

关键词：

D O I：

10.1016/S0022-328X(00)85594-1

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Ab initio LCAO and one-centre expansion (OCE) methods are used for comparing the electron densities in TiH4 and Ti(CH3)4. The OCE description of the Ti atom in TiH4 is found to be realistic. The TiH and TiC bonds are qualitatively similar, the latter having a slightly more positive Ti atom. The hydridic nature of the hydrogen is discussed. © 1979.

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页码：289 / 295

页数：7

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