Targeted Energy Transfer Dynamics and Chemical Reactions

Ultrafast reaction processes take place when resonant features of nonlinear model systems are taken into account. In the targeted energy or electron transfer dimer model this is accomplished through the implementation of nonlinear oscillators with opposing types of nonlinearities, one attractive while the second repulsive. In the present work, we show that this resonant behavior survives if we take into account the vibrational degrees of freedom as well. After giving a summary of the basic formalism of chemical reactions we show that resonant electron transfer can be assisted by vibrations. We find the condition for this efficient transfer and show that in the case of additional interaction with noise, a distinct non-Arrhenius behavior develops that is markedly different from the usual Kramers-like activated transfer.

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Publication Details

Journal
Entropy
Published
2024-09-02
DOI
https://doi.org/10.3390/e26090753
Citations
1
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
Field-Weighted Citation Impact
0.34

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article

Targeted Energy Transfer Dynamics and Chemical Reactions

Giorgos P. Tsironis, Natalya Almazova, Serge Aubry
1 citations
Entropy
Spectroscopy and Quantum Chemical Studies
0.34
article

Targeted Energy Transfer Dynamics and Chemical Reactions

Giorgos P. Tsironis, Natalya Almazova, Serge Aubry
article en
1 citations

Abstract

Ultrafast reaction processes take place when resonant features of nonlinear model systems are taken into account. In the targeted energy or electron transfer dimer model this is accomplished through the implementation of nonlinear oscillators with opposing types of nonlinearities, one attractive while the second repulsive. In the present work, we show that this resonant behavior survives if we take into account the vibrational degrees of freedom as well. After giving a summary of the basic formalism of chemical reactions we show that resonant electron transfer can be assisted by vibrations. We find the condition for this efficient transfer and show that in the case of additional interaction with noise, a distinct non-Arrhenius behavior develops that is markedly different from the usual Kramers-like activated transfer.

EntropyVol. 26(9)
University of Crete (GR)
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Stavros Niarchos Foundation, Hellenic Foundation for Research and Innovation
Affordable and clean energy
Openalex Percentile: Top 41%
Spectroscopy and Quantum Chemical Studies
0.34
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