THE PRESSURE 2ND VIRIAL-COEFFICIENT OF VIBRATING SYMMETRICAL TRIATOMIC-MOLECULES

被引：1

作者：

MURAD, S ^{[1
]}

SETHI, DPS ^{[1
]}

POWLES, JG ^{[1
]}

机构：

[1] UNIV KENT,PHYS LAB,CANTERBURY CT2 7NZ,KENT,ENGLAND

来源：

MOLECULAR PHYSICS | 1990年 / 71卷 / 02期

关键词：

D O I：

10.1080/00268979000101801

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：

The effect of molecular flexibility on the pressure second virial coefficient B has been evaluated for both linear molecules related to CS2 and nonlinear symmetric triatomic molecules derived from CS2. Our results show that these effects will not be significant in evaluating pairwise intermolecular potentials for these molecules. Earlier, we found this also to be the case for linear diatomic molecules. This result is different from the case of water, where much larger contributions (up to 10%) were reported by Refson et al. The dominant contribution to B is caused by molecular bond bending in both linear and nonlinear molecules and is very sensitive to the degree of nonlinearly of the molecule. © 1990 Taylor and Francis Ltd.

引用

页码：297 / 305

页数：9

共 7 条

[1]

[Anonymous], 1980, VIRIAL COEFFICIENTS

[2]

[Anonymous], 1986, NUMERICAL RECIPES

[3]

HERTZBERG G, 1945, MOL SPECTRA MOL STRU, V2, P277

[4] THE PRESSURE 2ND VIRIAL-COEFFICIENT FOR VIBRATING HOMONUCLEAR DIATOMIC-MOLECULES [J].