Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer

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Standard

Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer. / Ekstrøm, Ellen T.; Pedersen, Jacob; Mikkelsen, Kurt V.

I: The journal of physical chemistry. A, Bind 127, Nr. 45, 2023, s. 9601-9611.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Ekstrøm, ET, Pedersen, J & Mikkelsen, KV 2023, 'Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer', The journal of physical chemistry. A, bind 127, nr. 45, s. 9601-9611. https://doi.org/10.1021/acs.jpca.3c04359

APA

Ekstrøm, E. T., Pedersen, J., & Mikkelsen, K. V. (2023). Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer. The journal of physical chemistry. A, 127(45), 9601-9611. https://doi.org/10.1021/acs.jpca.3c04359

Vancouver

Ekstrøm ET, Pedersen J, Mikkelsen KV. Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer. The journal of physical chemistry. A. 2023;127(45):9601-9611. https://doi.org/10.1021/acs.jpca.3c04359

Author

Ekstrøm, Ellen T. ; Pedersen, Jacob ; Mikkelsen, Kurt V. / Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer. I: The journal of physical chemistry. A. 2023 ; Bind 127, Nr. 45. s. 9601-9611.

Bibtex

@article{c763c89f79044316be2399fe993207c3,
title = "Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer",
abstract = "The charge transfer dynamics of the bridged perylene dimer were investigated with the recently developed solvent coupling Redfield time propagation model. The results are compared with previous experimental findings to showcase the significance and applicability of the model. The charge transfer dynamics in vacuum showed that no breaking of the charge transfer direction symmetry occurred upon optical excitation, in perfect agreement with the experiment. Meanwhile, attractive solute-solvent interactions facilitated by the dipole moments of the polar solvents were observed to break the charge transfer direction symmetry. The conformational isomerism effect on the transfer dynamics manifested itself by promoting different transport channels upon solvation. Consequently, the solvent coupling Redfield time propagation model was indeed found to be able to quantitatively describe the charge transfer dynamics including exotic phenomena such as symmetry breaking of charge transfer direction.",
author = "Ekstr{\o}m, {Ellen T.} and Jacob Pedersen and Mikkelsen, {Kurt V.}",
year = "2023",
doi = "10.1021/acs.jpca.3c04359",
language = "English",
volume = "127",
pages = "9601--9611",
journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "45",

}

RIS

TY - JOUR

T1 - Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer

AU - Ekstrøm, Ellen T.

AU - Pedersen, Jacob

AU - Mikkelsen, Kurt V.

PY - 2023

Y1 - 2023

N2 - The charge transfer dynamics of the bridged perylene dimer were investigated with the recently developed solvent coupling Redfield time propagation model. The results are compared with previous experimental findings to showcase the significance and applicability of the model. The charge transfer dynamics in vacuum showed that no breaking of the charge transfer direction symmetry occurred upon optical excitation, in perfect agreement with the experiment. Meanwhile, attractive solute-solvent interactions facilitated by the dipole moments of the polar solvents were observed to break the charge transfer direction symmetry. The conformational isomerism effect on the transfer dynamics manifested itself by promoting different transport channels upon solvation. Consequently, the solvent coupling Redfield time propagation model was indeed found to be able to quantitatively describe the charge transfer dynamics including exotic phenomena such as symmetry breaking of charge transfer direction.

AB - The charge transfer dynamics of the bridged perylene dimer were investigated with the recently developed solvent coupling Redfield time propagation model. The results are compared with previous experimental findings to showcase the significance and applicability of the model. The charge transfer dynamics in vacuum showed that no breaking of the charge transfer direction symmetry occurred upon optical excitation, in perfect agreement with the experiment. Meanwhile, attractive solute-solvent interactions facilitated by the dipole moments of the polar solvents were observed to break the charge transfer direction symmetry. The conformational isomerism effect on the transfer dynamics manifested itself by promoting different transport channels upon solvation. Consequently, the solvent coupling Redfield time propagation model was indeed found to be able to quantitatively describe the charge transfer dynamics including exotic phenomena such as symmetry breaking of charge transfer direction.

U2 - 10.1021/acs.jpca.3c04359

DO - 10.1021/acs.jpca.3c04359

M3 - Journal article

C2 - 37931218

AN - SCOPUS:85177102876

VL - 127

SP - 9601

EP - 9611

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

SN - 1089-5639

IS - 45

ER -

ID: 374454097