PRESSURE-INDUCED WIDTHS AND SHIFTS FOR THE NU(3) BAND OF METHANE

被引：44

作者：

NESHYBA, SP ^{[1
]}

LYNCH, R ^{[1
]}

GAMACHE, R ^{[1
]}

GABARD, T ^{[1
]}

CHAMPION, JP ^{[1
]}

机构：

[1] UNIV BOURGOGNE, SMIL, DIJON, FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 11期

关键词：

D O I：

10.1063/1.467972

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：

Widths and shifts of methane lines perturbed by nitrogen are calculated using a complex-valued implementation of Robert-Bonamy (RB) theory. The static intermolecular potential is described as a sum of electrostatic forces and Lennard-Jones (6-12) atom-atom terms, using literature values for all physical parameters. Vibrational dependence of the isotropic potential is obtained from the polarizability of methane assuming a dispersion interaction. The repulsive part of the Lennard-Jones accounts for the greatest part of widths, while dispersion interactions are largely responsible for shifts. Although the average error between calculated and observed linewidths (up to J=8) is less than 6%, their distribution suggests the influence of interactions not described in the present theory. © 1994 American Institute of Physics.

引用

页码：9412 / 9421

页数：10

共 91 条

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