Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects
Research output: Contribution to journal › Article › Scientific › peer-review
|Number of pages||4|
|Journal||Chemical Physics Letters|
|Publication status||Published - 9 Mar 2012|
|Publication type||A1 Journal article-refereed|
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.