The Fokker–Planck–Langevin model for rotational Brownian motion. III. Symmetric top molecules
- 1 December 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (11) , 5503-5513
- https://doi.org/10.1063/1.441954
Abstract
The general series expansion for the angular velocity–orientation conditional probability density for a fluid composed of symmetric top molecules is derived, and expressions for the reorientational correlation functions, correlation times, spectral densities, angular velocity correlation functions, and the correlation times relevant to magnetic relaxation via spin–rotational interactions are presented. Numerical calculations of the reorientational correlation functions, memory functions, spectral densities, and correlation times indicate that these properties are sensitive to the anisotropy of the angular velocity correlations produced by an anisotropic friction tensor in the rotational Langevin equation.Keywords
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