Stradomska, A., Kulig, W., Slawik, M. and Petelenz, P. (2012) Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects. Chemical Physics Letters, 529, pp. 27-30. (doi: 10.1016/j.cplett.2012.01.038)
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Abstract
A model of vibronic coupling in a manifold of coupled Frenkel and charge transfer states is applied to evaluate the electric-field-induced shifts of lowest vibronic levels deriving from the lower Davydov component of the Frenkel exciton in sexithiophene. With respect to the isolated-molecule value, vibronic terms combined with the mixing between Frenkel and CT configurations amplify the field-induced shift by the factor of seven for the 0–0 line and by further 60% for the vibronic replica in the main progression-forming mode. Confirmation is found in the existing experimental literature.
| Item Type: | Articles |
|---|---|
| Keywords: | CT states,Frenkel excitons,electroabsorption,excitons,molecular crystals,phonons,sexithiophene |
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Stradomska-Szymczak, Dr Anna |
| Authors: | Stradomska, A., Kulig, W., Slawik, M., and Petelenz, P. |
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Chemical Physics Letters |
| Publisher: | Elsevier B.V. |
| ISSN: | 0009-2614 |
| ISSN (Online): | 1873-4448 |
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