MOLECULAR FORCE FIELD FOR TRIMETHYLAMINE

被引：8

作者：

GAYLES, JN

机构：

[1] IBM San Jose Research Laboratory, San Jose

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 50卷 / 02期

关键词：

D O I：

10.1063/1.1671132

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：

Molecular potential functions are obtained which reproduce the observed frequencies for trimethylamine and three of its deutero-methyl isomers. The fitting procedure employed was a linearized least-square analysis with potential constant regression employed to damp convergence oscillation. It was found that anharmonicity corrections become important in the case of the skeletal motions in almost all cases, and the physical significance of the skeletal stretch-bend interactions derived was checked by independent means using an orbital rehybridization model.

引用

页码：799 / &

共 22 条

[1]

COULSON CA, 1947, VICTOR HENRI MEMORIA, P15

[2]

COULSON CA, 1947, VICTOR HENRI MEMORIA, P33

[3]

Decius J. C., 1955, MOLECULAR VIBRATIONS

[4] NORMAL COORDINATE CALCULATIONS AS A TOOL FOR VIBRATIONAL ASSIGNMENTS .1. FUNDAMENTAL VIBRATIONS OF SIMPLE ALIPHATIC AMINES [J].