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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| Abstract | 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. |
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| AbstractList | 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. 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. |
| Author | Bittner, Eric R Singh, Jaykrishna |
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| BackLink | https://doi.org/10.1039/c003113e$$DView published paper (Access to full text may be restricted) https://doi.org/10.48550/arXiv.1005.3695$$DView paper in arXiv |
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| Copyright | 2010. This work is published under http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. http://arxiv.org/licenses/nonexclusive-distrib/1.0 |
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| Snippet | 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... 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... |
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| SubjectTerms | Adiabatic flow Chromophores Energy transfer Isotope effect Parameterization Physics - Materials Science Physics - Quantum Physics Temperature dependence |
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| Title | Isotopic Effect and Temperature Dependent Intramolecular Excitation Energy Transfer in a Model Donor-Acceptor Dyad |
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