EXPERIMENTAL AND THEORETICAL ESTIMATIONS OF THE SOLVENT INDEPENDENCE OF THE ELECTRONIC COUPLING MATRIX ELEMENT FOR AN ORGANIC HOMOGENEOUS ELECTRON SELF-EXCHANGE REACTION
G. Grampp et G. Rauhut, EXPERIMENTAL AND THEORETICAL ESTIMATIONS OF THE SOLVENT INDEPENDENCE OF THE ELECTRONIC COUPLING MATRIX ELEMENT FOR AN ORGANIC HOMOGENEOUS ELECTRON SELF-EXCHANGE REACTION, Journal of physical chemistry, 99(7), 1995, pp. 1815-1817
The solvent dependence of the electronic coupling matrix element V wit
hin electron transfer theory has been investigated for the homogeneous
electron self-exchange reaction of the 1,4-diaminobenzene/1,4-diamino
benzene radical cation couple. Experimental results from both ESR line
broadening effects and semi-empirical MO calculations within the fram
ework of self-consistent reaction field theory show that V is solvent-
independent.