Linear dielectric relaxation of dipolar, rigid, non-interacting and asymmetric-top molecules in Smoluchowski-Debye approach

Issue title: Atomic and molecular nonlinear optics: Theory, Experiment and Computation A homage to the pioneering work of Stanisław Kielich (1925-1993)

Guest editors: G. Maroulis, T. Bancewicz, B. Champagne and A.D. Buckingham

Article type: Research Article

Authors: Alexiewicz, Wladyslaw | Grygiel, Krzysztof^{; *}

Affiliations: Nonlinear Optics Division, Institute of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61-614 Poznań, Poland

Correspondence: [*] Corresponding author. E-mail: [email protected].

Abstract: Assuming the low molecular reorientation approximation, the formulae for linear electric polarization induced in liquids composed of rigid, noninteracting, dipolar and asymmetric-top molecules in spherical solvents were derived. The Kalmykov's equation [Phys.Rev., E 65 (021101) 2001] – equivalent to the classical, noninertial Smoluchowski-Debye model of rotational diffusion was applied. In order to highlight the influence of the anisotropy of rotational diffusion tensor components and the orientation of permanent dipole moment of the molecule on the complex linear electric susceptibility, we present three-dimensional plots of the dispersion and absorption spectra, Cole-Cole diagrams for different values of the anisotropies of rotational diffusion tensor components and different frequencies of an ac electric field.

DOI: 10.3233/JCM-2010-0311

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 10, no. 3-6, pp. 341-356, 2010