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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