Isotopic Effect and Temperature Dependent Intramolecular Excitation Energy Transfer in a Model Donor-Acceptor Dyad

We consider here the non-adiabatic energy transfer dynamics for a model bi-chromophore system consisting of a perylenediimide unit linked to a ladder-type poly-(para-phenylene) oligomer. Starting from a semi-empirical parameterization of a model electron/phonon Hamiltonian, we compute the golden-rul...

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Bibliographic Details
Published inarXiv.org
Main Authors Singh, Jaykrishna, Bittner, Eric R
Format Paper Journal Article
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 20.05.2010
Subjects
Adiabatic flow
Chromophores
Energy transfer
Isotope effect
Parameterization
Physics - Materials Science
Physics - Quantum Physics
Temperature dependence
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Summary:We consider here the non-adiabatic energy transfer dynamics for a model bi-chromophore system consisting of a perylenediimide unit linked to a ladder-type poly-(para-phenylene) oligomer. Starting from a semi-empirical parameterization of a model electron/phonon Hamiltonian, we compute the golden-rule rate for energy transfer from the LPPP5 donor to the PDI acceptor. Our results indicate that the non-adiabatic transfer is promoted by the out-of-plane wagging modes of the C-H bonds even though theses modes give little or no contribution to the Franck Condon factors in this system. We also predict a kinetic isotope effect of \(k^{(H)}/k^{(D)} = 1.7 - 2.5\) depending upon the temperature.
ISSN:2331-8422
DOI:10.48550/arxiv.1005.3695