Publication Type Journal Article
Title Electron transfer within 1,3-dinitrobenzene radical anions: electron hopping or superexchange?
Authors Alvaro Moneo J. P. Telo
Groups BioMol
Journal JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
Year 2012
Month December
Volume 25
Number 12
Pages 1139-1143
Abstract The intramolecular electron transfer on several 1,3-dinitrobenzene radical anions with different substituents on position 5 was studied by electron paramagnetic resonance and optical spectroscopies in MeCN. The radical anions are all charge-localized mixed valence species, as is common for meta-substituted dinitrobenzenes. Rate constants for the electron transfer reaction were obtained by the MarcusHush analysis of the intervalence optical bands assuming quartic-augmented energy surfaces and solvent-controlled dynamics. These calculated rate constants match quite well the experimental ones obtained by simulation of the electron paramagnetic resonance spectra, which rules out bridge-reduced states as intermediates in the reaction path and confirms the superexchange mechanism. Copyright (c) 2012 John Wiley \& Sons, Ltd.
DOI http://dx.doi.org/10.1002/poc.2957
ISBN
Publisher
Book Title
ISSN 0894-3230
EISSN
Conference Name
Bibtex ID ISI:000313125800011
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