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Some quantum chemical aspects on outer-sphere electron-transfer reactions: The U(V)/Fe(III)-U(VI)/Fe(II) system
KTH, School of Chemical Science and Engineering (CHE), Chemistry.
2006 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 110, no 29, 9025-9027 p.Article in journal (Other academic) Published
Abstract [en]

The activation energy and rate constant of U(V)- Fe(III) to U(VI)- Fe(II) outer-sphere electron-transfer reaction was studied using Marcus model. Experimental values were used for Gibbs energy change of the reaction, and energy surfaces were calculated by quantum chemical methods. The calculated rate constant was in reasonable accord with experimental value.

Place, publisher, year, edition, pages
2006. Vol. 110, no 29, 9025-9027 p.
National Category
Physical Chemistry
URN: urn:nbn:se:kth:diva-47123DOI: 10.1021/jp062297eISI: 000239141600001ScopusID: 2-s2.0-33747029981OAI: diva2:454726
QC 20111108Available from: 2011-11-08 Created: 2011-11-07 Last updated: 2011-11-08Bibliographically approved

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Grenthe, Ingmar
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