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
U. Hohm, 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, Chemical physics, 179(3), 1994, pp. 533-541
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(omeg
a) is in general only known for frequencies up to 0.1 au (457 nm), the
quantum mechanically known relationship between alpha(omega) and kapp
a(omega) is used in order to extrapolate kappa(omega) to 0.2 au (228 n
m). The first results of kappa(omega) in the W frequency range are pre
sented and discussed for N2O, CO2, NH3, C2H6, and cyclo-C3H6. The obta
ined frequency dependence of the polarizability and its anisotropy is
used to calculate isotropic as well. as anisotropic dispersion-interac
tion energy coefficients.