Valence optical theory of vibrational circular dichroism and Raman optical activity

Escribano, J. R. and Barron, L. D. (1988) Valence optical theory of vibrational circular dichroism and Raman optical activity. Molecular Physics, 65(2), pp. 327-344. (doi:10.1080/00268978800101061)

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Abstract

The valence-optical approach is used to develop a consistent bond dipole theory of vibrational circular dichroism and bond polarizability theory of vibrational Raman optical activity with results that are independent of both the local bond origins and the molecular origin. Two distinct versions of the results are presented: one is convenient for the development of simple models based on vibrations of idealized chiral structural elements, the other for detailed computations based on a full normal coordinate analysis for molecules composed entirely of axially-symmetric bonds. Explicit computational expressions are developed, and the outline given of a development for computational expressions when one or more bonds lack axial symmetry.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Barron, Professor Laurence
Authors: Escribano, J. R., and Barron, L. D.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Molecular Physics
Publisher:Taylor & Francis
ISSN:0026-8976
ISSN (Online):1362-3028

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