Contributions of multipolar polarizabilities to the isotropic and anisotropic light scattering induced by molecular interactions in gaseous methane

被引:12
作者
El-Kader, M. S. A. [1 ]
El-Sheikh, S. M. [1 ]
Bancewicz, T. [2 ]
Hellmann, R. [3 ]
机构
[1] Cairo Univ, Fac Engn, Dept Engn Math & Phys, Giza 12211, Egypt
[2] Adam Mickiewicz Univ Poznan, Inst Phys, Div Nonlinear Opt, PL-60780 Poznan, Poland
[3] Univ Rostock, Inst Chem, D-18059 Rostock, Germany
关键词
ab initio calculations; organic compounds; polarisability; potential energy functions; Raman spectra; translational states; ROTATIONAL RAMAN-SCATTERING; COLLISION-INDUCED SCATTERING; CH4-INERT GAS-MIXTURES; QUADRUPOLE POLARIZABILITY; SPECTRAL MOMENTS; COUPLED-CLUSTER; LONG-RANGE; CH4; ATOMS; PAIR;
D O I
10.1063/1.3180823
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 binary isotropic and anisotropic collision-induced light scattering spectra of gaseous methane at room temperature are analyzed in terms of a recent ab initio intermolecular potential and interaction-induced pair polarizability trace and anisotropy models, using quantum line-shapes computations. The translational spectra at relatively low frequencies are determined largely by the effects of bound and free transitions. At intermediate frequencies the spectra are sensitive to both the attractive part of the potential and the short-range part of the polarizability trace and anisotropy. The high frequency wings are discussed in terms of the collision-induced rotational Raman effect and estimates for the dipole-quadrupole polarizability A and the dipole-octopole polarizability E are obtained and checked with recent ab initio theoretical values.
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页数:6
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