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MD Simulation of Depolarized Rayleigh and FIR Spectra in Binary Liquid Mixtures

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Book cover Molecular Liquids: New Perspectives in Physics and Chemistry

Part of the book series: NATO ASI Series ((ASIC,volume 379))

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Abstract

Depolarized Rayleigh light scattering and far-infrared absorption from molecular liquids are collective N-body processes resulting from fluctuations in the collective anisotropic polarizability (light scattering) and system dipole moment (absorption). These phenomena depend strongly on the dynamics of the system as a consequence of intermolecular interactions. Treating the pair potential model in terms of a poly-center Lennard-Jones potential an analysis of these spectra on the basis of the dipole-induced dipole (light scattering) and first-order multipole induction (absorption) mechanism is presented for the binary liquid mixture CS2/CC14 by Molecular Dynamics computer simulation. The collective time correlation functions of the anisotropic polarizability and the induced dipole moment are separated into contributions corresponding to each combination of interaction between both types of molecules. The agreement of the simulated spectra with experimental results is in some respects satisfactory, but also displays characteristic deviations.

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Authors and Affiliations

  1. Physikalische Chemie I, Universität Bielefeld, Postfach 8640, 4800, Bielefeld 1, Germany

    H. Stassen & U. Mittag

  2. Department of Chemistry, University of Athens, Athens, Greece

    J. Samios

Authors
  1. H. Stassen
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  2. U. Mittag
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  3. J. Samios
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Editor information

Editors and Affiliations

  1. Departamento de Química, Universidade de Coimbra, Coimbra, Portugal

    José J. C. Teixeira-Dias

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© 1992 Springer Science+Business Media Dordrecht

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Stassen, H., Mittag, U., Samios, J. (1992). MD Simulation of Depolarized Rayleigh and FIR Spectra in Binary Liquid Mixtures. In: Teixeira-Dias, J.J.C. (eds) Molecular Liquids: New Perspectives in Physics and Chemistry. NATO ASI Series, vol 379. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2832-2_31

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  • DOI: https://doi.org/10.1007/978-94-011-2832-2_31

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-5258-0

  • Online ISBN: 978-94-011-2832-2

  • eBook Packages: Springer Book Archive

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