The Role of Resonant Vibrations in Electronic Energy Transfer

P. Malý, O.J.G. Somsen, V.I. Novoderezhkin, T. Mancal, R. van Grondelle

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

Nuclear vibrations play a prominent role in the spectroscopy and dynamics of electronic systems. As recent experimental and theoretical studies suggest, this may be even more so when vibrational frequencies are resonant with transitions between the electronic states. Herein, a vibronic multilevel Redfield model is reported for excitonically coupled electronic two-level systems with a few explicitly included vibrational modes and interacting with a phonon bath. With numerical simulations the effects of the quantized vibrations on the dynamics of energy transfer and coherence in a model dimer are illustrated. The resonance between the vibrational frequency and energy gap between the sites leads to a large delocalization of vibronic states, which then results in faster energy transfer and longer-lived mixed coherences.
Original languageEnglish
Pages (from-to)1356-1368
JournalChemPhysChem
Volume17
Issue number9
DOIs
Publication statusPublished - 2016

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resonant vibration
Vibrational spectra
Energy transfer
energy transfer
Electronic states
electronics
Dimers
vibration
Energy gap
Spectroscopy
resonant frequencies
baths
vibration mode
Computer simulation
dimers
spectroscopy
simulation

Cite this

Malý, P., Somsen, O. J. G., Novoderezhkin, V. I., Mancal, T., & van Grondelle, R. (2016). The Role of Resonant Vibrations in Electronic Energy Transfer. ChemPhysChem, 17(9), 1356-1368. https://doi.org/10.1002/cphc.201500965
Malý, P. ; Somsen, O.J.G. ; Novoderezhkin, V.I. ; Mancal, T. ; van Grondelle, R. / The Role of Resonant Vibrations in Electronic Energy Transfer. In: ChemPhysChem. 2016 ; Vol. 17, No. 9. pp. 1356-1368.
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Malý, P, Somsen, OJG, Novoderezhkin, VI, Mancal, T & van Grondelle, R 2016, 'The Role of Resonant Vibrations in Electronic Energy Transfer' ChemPhysChem, vol. 17, no. 9, pp. 1356-1368. https://doi.org/10.1002/cphc.201500965

The Role of Resonant Vibrations in Electronic Energy Transfer. / Malý, P.; Somsen, O.J.G.; Novoderezhkin, V.I.; Mancal, T.; van Grondelle, R.

In: ChemPhysChem, Vol. 17, No. 9, 2016, p. 1356-1368.

Research output: Contribution to JournalArticleAcademicpeer-review

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T1 - The Role of Resonant Vibrations in Electronic Energy Transfer

AU - Malý, P.

AU - Somsen, O.J.G.

AU - Novoderezhkin, V.I.

AU - Mancal, T.

AU - van Grondelle, R.

PY - 2016

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AB - Nuclear vibrations play a prominent role in the spectroscopy and dynamics of electronic systems. As recent experimental and theoretical studies suggest, this may be even more so when vibrational frequencies are resonant with transitions between the electronic states. Herein, a vibronic multilevel Redfield model is reported for excitonically coupled electronic two-level systems with a few explicitly included vibrational modes and interacting with a phonon bath. With numerical simulations the effects of the quantized vibrations on the dynamics of energy transfer and coherence in a model dimer are illustrated. The resonance between the vibrational frequency and energy gap between the sites leads to a large delocalization of vibronic states, which then results in faster energy transfer and longer-lived mixed coherences.

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DO - 10.1002/cphc.201500965

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