Primary electron localization in polar liquids: Dependence on matrix and temperature

Primary electron localization in polar liquids: Dependence on matrix and temperature Computer generated structures of several polar liquids (water at 298 and 373 K, 1-propanol and 2-propanol at 298 K) have been analyzed in order to identify the regions of attractive potential that can serve as pre-existing sites for primary localization of an excess electron. Properties of pre-existing electron traps have been described in terms of statistical distributions of their geometrical parameters, energy levels and persistence times. The obtained results can explain, at least qualitatively, differences in the localization process in the considered matrices. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Primary electron localization in polar liquids: Dependence on matrix and temperature

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Publisher
Brill Academic Publishers
Copyright
Copyright © 2001 by VSP 2001
Subject
Chemistry; Inorganic Chemistry; Physical Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1163/15685670152622086
Publisher site
See Article on Publisher Site

Abstract

Computer generated structures of several polar liquids (water at 298 and 373 K, 1-propanol and 2-propanol at 298 K) have been analyzed in order to identify the regions of attractive potential that can serve as pre-existing sites for primary localization of an excess electron. Properties of pre-existing electron traps have been described in terms of statistical distributions of their geometrical parameters, energy levels and persistence times. The obtained results can explain, at least qualitatively, differences in the localization process in the considered matrices.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Oct 7, 2004

References

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