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.
引用
收藏
页码:533 / 541
页数:9
相关论文
共 43 条
[31]   THE TEMPERATURE-DEPENDENCE OF THE COTTON-MOUTON EFFECT AND MAGNETO-OPTICAL PROPERTIES OF GASEOUS NITROGEN MONOXIDE [J].
KLING, H ;
HUTTNER, W .
MOLECULAR PHYSICS, 1985, 56 (02) :303-318
[32]   CONSTRAINED ANISOTROPIC DIPOLE OSCILLATOR STRENGTH DISTRIBUTION TECHNIQUES, AND RELIABLE RESULTS FOR ANISOTROPIC AND ISOTROPIC DIPOLE MOLECULAR-PROPERTIES, WITH APPLICATIONS TO H-2 AND N-2 [J].
KUMAR, A ;
MEATH, WJ .
THEORETICA CHIMICA ACTA, 1992, 82 (1-2) :131-152
[33]   NATURAL STATES OF INTERACTING SYSTEMS AND THEIR USE FOR THE CALCULATION OF INTER-MOLECULAR FORCES .3. ONE-TERM APPROXIMATIONS OF OSCILLATOR STRENGTH SUMS AND DYNAMIC POLARIZABILITIES [J].
KUTZELNIGG, W ;
MAEDER, F .
CHEMICAL PHYSICS, 1978, 35 (03) :397-405
[34]   ONE-TERM APPROXIMATIONS TO OSCILLATOR STRENGTH SUMS [J].
KUTZELNIGG, W .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (10) :4752-4753
[35]   MOMENT THEORY BOUNDS FOR SECOND-ORDER OPTICAL PROPERTIES OF ATOMS AND MOLECULES [J].
LANGHOFF, PW .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (07) :2604-+
[36]  
MCCOURT FRW, 1989, NONEQUILIBRIUM PHENO, V1, P431
[37]  
MOELWYNHUGHES EA, 1964, PHYSICAL CHEM
[38]  
Okabe H., 1978, PHOTOCHEMISTRY SMALL
[39]   THE ANISOTROPY OF THE 2ND HYPERPOLARIZABILITY OF MOLECULAR-HYDROGEN FROM THE PRESSURE AND TEMPERATURE-DEPENDENCE OF THE KERR EFFECT [J].
TAMMER, R ;
HUTTNER, W .
CHEMICAL PHYSICS, 1990, 146 (1-2) :155-163
[40]   ABINITIO DISPERSION COEFFICIENTS FOR INTERACTIONS INVOLVING RARE-GAS ATOMS [J].
THAKKAR, AJ ;
HETTEMA, H ;
WORMER, PES .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (05) :3252-3257