DECISIVE-FRAGMENT MODEL AND THEORETICAL CALCULATIONS OF SOLVENT REORGANIZATION ENERGIES IN SYMMETRICAL ELECTRON EXCHANGE-REACTIONS IN PARASUBSTITUTED NITROBENZENES

The INDO method and Kirkwood-Westheimer approximation were used to cal culate solvent reorganization energies in one-electron transfer proces ses taking place in nitroarene/nitroarene radical-anion systems. The v alues found correlated in a satisfactory manner with experimental valu es. It was shown that the ''decisive-fragment model'' suggested previo usly by the authors provides a satisfactory description of electron tr ansfer processes in para-substituted nitrobenzenes.