Journal of Physical Chemistry C, volume 123, issue 23, pages 14370-14381
Understanding the Nature of Heterogeneous Electron Transfer in Molecular and Ionic Solvents: Experiment, Theory, and Computations
Publication type: Journal Article
Publication date: 2019-05-22
Journal:
Journal of Physical Chemistry C
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
We report a combined experimental and computational study on the heterogeneous electron transfer kinetics for a simple one electron transfer reaction (ferrocene/ferrocenium Fc+/Fc couple) in a series of molecular solvents and ionic liquids. We focus on the diagnostics of the electron transfer regime (adiabatic vs nonadiabatic) and assess the parameters of the quantum mechanical electron transfer theory, which determine the observed tendencies in the solvent effect on the electron transfer rates. The applicability of the linear plots of the electron transfer rate constant vs longitudinal relaxation time (or solvent viscosity) for distinguishing between different ET kinetic regimes is analyzed. Classical molecular dynamics simulations were performed to calculate the potential of mean force for Fc and Fc+. The structure of the reaction layer derived from molecular dynamics is thoroughly investigated. The experimental dielectric spectra for the both type of solvents are used for quantum corrections of the outer-sphere reorganization energy as well as for estimations of the effective frequency factor in the limit of strong and weak electronic coupling. The electron transfer rate constants are calculated and discussed in the viewpoint of available experimental data.
Citations by journals
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2
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Electrochimica Acta
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Electrochimica Acta
2 publications, 16.67%
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Journal of Physical Chemistry C
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Journal of Physical Chemistry C
2 publications, 16.67%
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Journal of Chemical Physics
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Journal of Chemical Physics
1 publication, 8.33%
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Journal of the Electrochemical Society
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Journal of the Electrochemical Society
1 publication, 8.33%
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Current Opinion in Electrochemistry
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Current Opinion in Electrochemistry
1 publication, 8.33%
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High Energy Chemistry
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High Energy Chemistry
1 publication, 8.33%
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Electrochemical Science Advances
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Electrochemical Science Advances
1 publication, 8.33%
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Chemical Communications
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Chemical Communications
1 publication, 8.33%
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Journal of Materials Chemistry A
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Journal of Materials Chemistry A
1 publication, 8.33%
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1
2
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Citations by publishers
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1
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3
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Elsevier
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Elsevier
3 publications, 25%
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Wiley
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Wiley
2 publications, 16.67%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
2 publications, 16.67%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
2 publications, 16.67%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
1 publication, 8.33%
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The Electrochemical Society
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The Electrochemical Society
1 publication, 8.33%
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Pleiades Publishing
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Pleiades Publishing
1 publication, 8.33%
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1
2
3
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Nikitina V. A. et al. Understanding the Nature of Heterogeneous Electron Transfer in Molecular and Ionic Solvents: Experiment, Theory, and Computations // Journal of Physical Chemistry C. 2019. Vol. 123. No. 23. pp. 14370-14381.
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Nikitina V. A., Kislenko V. A., Nazmutdinov R. R. Understanding the Nature of Heterogeneous Electron Transfer in Molecular and Ionic Solvents: Experiment, Theory, and Computations // Journal of Physical Chemistry C. 2019. Vol. 123. No. 23. pp. 14370-14381.
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TY - JOUR
DO - 10.1021/acs.jpcc.9b01163
UR - https://doi.org/10.1021%2Facs.jpcc.9b01163
TI - Understanding the Nature of Heterogeneous Electron Transfer in Molecular and Ionic Solvents: Experiment, Theory, and Computations
T2 - Journal of Physical Chemistry C
AU - Nikitina, Victoria A.
AU - Kislenko, Vitaliy A
AU - Nazmutdinov, Renat R.
PY - 2019
DA - 2019/05/22 00:00:00
PB - American Chemical Society (ACS)
SP - 14370-14381
IS - 23
VL - 123
SN - 1932-7447
SN - 1932-7455
ER -
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@article{2019_Nikitina,
author = {Victoria A. Nikitina and Vitaliy A Kislenko and Renat R. Nazmutdinov},
title = {Understanding the Nature of Heterogeneous Electron Transfer in Molecular and Ionic Solvents: Experiment, Theory, and Computations},
journal = {Journal of Physical Chemistry C},
year = {2019},
volume = {123},
publisher = {American Chemical Society (ACS)},
month = {may},
url = {https://doi.org/10.1021%2Facs.jpcc.9b01163},
number = {23},
pages = {14370--14381},
doi = {10.1021/acs.jpcc.9b01163}
}
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Nikitina, Victoria A., et al. “Understanding the Nature of Heterogeneous Electron Transfer in Molecular and Ionic Solvents: Experiment, Theory, and Computations.” Journal of Physical Chemistry C, vol. 123, no. 23, May. 2019, pp. 14370-14381. https://doi.org/10.1021%2Facs.jpcc.9b01163.
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