FE Theory Including an Elastic σ Skeleton. I. Spectra and Bond Lengths in Long Polyenes
- 1 October 1957
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 27 (4), 957-962
- https://doi.org/10.1063/1.1743886
Abstract
FE theory is refined by introducing the interaction between π electrons and an elastic σ skeleton. It is shown that even for very long polyenes a difference in single and double bond length of the same order of magnitude as in shorter polyenes is to be expected. Bond lengths in the ground and first excited state are calculated, which compare favorably with experimental data deduced by a Franck-Condon analysis of the intensities of vibrational peaks.Keywords
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