Some quantum chemical aspects on outer-sphere electron-transfer reactions: The U(V)/Fe(III)-U(VI)/Fe(II) system
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
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.
IdentifiersURN: urn:nbn:se:kth:diva-47123DOI: 10.1021/jp062297eISI: 000239141600001ScopusID: 2-s2.0-33747029981OAI: oai:DiVA.org:kth-47123DiVA: diva2:454726
QC 201111082011-11-082011-11-072011-11-08Bibliographically approved