Condensed Aromatics. Part VI Force-Field Approximation for the Out-of-Plane Molecular Vibrations

Author:

Cyvin Bjørg N.1,Neerland Grethe1,Brunvoll Jon1,Cyvin Sven J.1

Affiliation:

1. Division of Physical Chemistry, The University of Trondheim, Trondheim, Norway

Abstract

The out-of-plane vibrations of aromatic molecules are studied. Theoretical considerations are based on the “classical” Whiffen force field. The new approximation contains five numerical parameters and is considerably simpler than the one of Whiffen with seven parameters and substantially more interaction terms. The five-parameter approximation is applied with success to benzene and naphthalene.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

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