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Issue 27, 2010
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Isotopic effect and temperature dependent intramolecular excitation energy transfer in a model donor–acceptor dyad

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Abstract

We consider here the non-adiabatic energy transfer dynamics for a model bi-chromophore system consisting of a perylenemonoimide 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 PMI 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.

Graphical abstract: Isotopic effect and temperature dependent intramolecular excitation energy transfer in a model donor–acceptor dyad

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Article information


Submitted
16 Feb 2010
Accepted
04 Jun 2010
First published
11 Jun 2010

Phys. Chem. Chem. Phys., 2010,12, 7418-7426
Article type
Paper

Isotopic effect and temperature dependent intramolecular excitation energy transfer in a model donor–acceptor dyad

J. Singh and E. R. Bittner, Phys. Chem. Chem. Phys., 2010, 12, 7418
DOI: 10.1039/C003113E

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