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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Hydrogen bonding and the n → p* blue shift in a,b-unsaturated ketones. II. Franck-Condon factors and estimates of the effects of hydrogen bonding on CO bond lengths

AF Beecham, AC Hurley and CHJ Johnson

Australian Journal of Chemistry 33(4) 699 - 705
Published: 1980

Abstract

Vibrational wave functions and Franck-Condon factors are calculated for the n → π* transition in α,β-unsaturated ketones by approximating vibrations of the chromophore by those of a diatomic moiety (CO). Comparison of the results with recent c.d. and u.v. absorption measurements indicates that the principal effect of hydrogen bonding on the n → π* system of these ketones arises from a differential lengthening of the CO bond in the excited electronic state as compared with the ground electronic state. It is these bond length changes which cause (through the Franck-Condon factors) the redistribution of intensity between vibrational sub-bands which is such a striking feature of recent highly resolved c.d. spectra.

https://doi.org/10.1071/CH9800699

© CSIRO 1980

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