Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects
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Details
| Original language | English |
|---|---|
| Pages (from-to) | 27-30 |
| Number of pages | 4 |
| Journal | Chemical Physics Letters |
| Volume | 529 |
| DOIs | |
| Publication status | Published - 9 Mar 2012 |
| Publication type | A1 Journal article-refereed |
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.