DISPERSION OF POLARIZABILITY ANISOTROPY OF H-2, O-2, N2O, CO2, NH3, C2H6, AND CYCLO-C3H6 AND EVALUATION OF ISOTROPIC AND ANISOTROPIC DISPERSION-INTERACTION ENERGY COEFFICIENTS

被引:38
作者
HOHM, U
机构
[1] Institut für Physikalische, Theoretische Chemie der Technischen Universität Braunschweig, D-38106 Braunschweig
关键词
D O I
10.1016/0301-0104(94)87028-4
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
Polarizability anisotropies kappa(omega) in the W frequency range are deduced from a detailed analysis of mean polarizabilities alpha(omega) and Rayleigh scattering depolarization ratios rho(omega). As rho(omega) is in general only known for frequencies up to 0.1 au (457 nm), the quantum mechanically known relationship between alpha(omega) and kappa(omega) is used in order to extrapolate kappa(omega) to 0.2 au (228 nm). The first results of kappa(omega) in the W frequency range are presented and discussed for N2O, CO2, NH3, C2H6, and cyclo-C3H6. The obtained frequency dependence of the polarizability and its anisotropy is used to calculate isotropic as well. as anisotropic dispersion-interaction energy coefficients.
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页码:533 / 541
页数:9
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