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Insight into the Mechanism of the Ru2+-Ru3+ Electron Self-Exchange Reaction from Quantitative Rate Calculations

The distance dependences of all electron-transfer parameters, including electronic coupling, are computed for the Ru2+-Ru3+ electron self-exchange reaction in aqueous solution. It is found that the probability for electron exchange is a maximum a Ru2+-Ru3+ distance of 5.6 Å (see free-energy surface), which is significantly smaller than the envelopes of the [Ru(H2O)6]n+ complexes

Autoren:   Harald Oberhofer, Jochen Blumberger
Journal:   Angewandte Chemie International Edition
Jahrgang:   2010
DOI:   10.1002/anie.200906455
Erscheinungsdatum:   09.04.2010
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