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RMS dipole moments of the valence excited states of linear polyenes

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
93
Issue
3
Identifiers
DOI: 10.1016/0009-2614(82)80134-6

Abstract

Abstract Asymmetrical vibrations induce small oscillating dipole moments in the ground states of linear all-trans polyenes. Upon vertical excitation into one of the two low-lying valence excited states the induced in-plane dipole moments are increased 3 times and more. The rms dipole moments increase with the chain length. The inducing modes are the CCC skeletal bending and the CC stretching vibrations. CH stretching vibrations are also found to contribute non-negligible polarization.

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