AB-INITIO MOLECULAR-ORBITAL STUDY OF THE STRENGTHS OF THE GALLIUM CARBON BONDS IN GA(CH3)N, N = 1-3

被引：36

作者：

BOCK, CW

TRACHTMAN, M

机构：

[1] Chemistry Department, Philadelphia College of Textiles and Science, Philadelphia

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 01期

关键词：

D O I：

10.1021/j100052a017

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ab initio molecular orbital calculations at a variety of levels are used to investigate the strengths of the Ga-C bonds in trimethyl-, dimethyl-, and monomethylgallane. The calculations show that the Ga-C bond is strongest in trimethylgallane and weakest in dimethylgallane. Computational support for the observed polymerization of monomethylgallane is found in a favorable 10 kcal/mol dimerization energy for monomethylgallane.

引用

页码：95 / 99

页数：5

共 39 条

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