Chemical Physics
Volume 107, Issues 2-3 , 1 September 1986, Pages 397-403

Octupole and hexadecapole induction mechanisms in interaction-induced spectra: a molecular dynamics simulation of liquid CCl4

Thomas Dorfmüller, Jannis Samios and Uwe Mittag

Universität Bielefeld, Fakultät für Chemie, D-4800 Bielefeld, FRG

Received 27 March 1986.  Available online 16 November 2001.


A molecular dynamics simulation of various induced-dipole correlation functions has been carried out in liquid CCl4. The induction was assumed to stem from an octupole and a hexadecapole mechanism. For both mechanisms we have obtained the total dipole and self-correlation functions. The results indicate details of intermolecular cancellation in liquid CCl4. The comparison with experimental spectra reveals the presence of an additional high-frequency induction mechanism in the real liquid.

Copyright © 2004 Elsevier B.V. All rights reserved. ScienceDirect® is a registered trademark of Elsevier B.V.