OUT-OF-PLANE FORCE CONSTANTS OF BENZENE

被引：7

作者：

OREILLY, EJ

机构：

[1] Department of Chemistry, University of North Dakota, Grand Forks

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 51卷 / 05期

关键词：

D O I：

10.1063/1.1672317

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：

It is argued that the out-of-plane force constants associated with the null symmetry coordinates of benzene are zero. On this basis 11 valence force constants associated with the internal coordinates are calculated. These constants do not give rise to inconsistencies when considering redundant coordinates. They reproduce the spectra of the deuterobenzenes within 1.2 cm-1.

引用

页码：2206 / &

共 8 条

[1]

BRODERSEN S, 1959, KGL DANSKE VIDENSKAB, V1

[2] REDUNDANT VIBRATIONAL COORDINATES .I. HARMONIC POTENTIAL FUNCTION [J].