Journal of the American Chemical Society, Vol.132, No.26, 8825-8825, 2010
Solvent Effects on the Coexistence of Localized and Delocalized 4,4'-Dinitrotolane Radical Anion by Resonance Raman Spectroscopy
The resonance Raman spectrum of the simple alkyne bndge in 4,4'-dimtrotolane radical anion shows two distinct bands, providing proof of the solvent-dependent coexistence of charge-localized and -delocalized species. The Raman spectra of normal modes primarily involving the charge-bearing -PhNO2 units also support the coexistence of two solvent-dependent electronic species. The temperature dependence of the spectra of the bridging unit shows an inverse relationship between the solvent reorganization energy (lambda(s)) and the temperature.