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Relaxation time of dipole orientation around a localized excess electron in alcohols

Journal Article · · J. Phys. Chem.; (United States)
DOI:https://doi.org/10.1021/j100553a025· OSTI ID:7341314
An improved method is developed for calculation of relaxation times for dipole orientation in liquid alcohols induced by localized excess electrons. The dielectric relaxation of the medium beyond the first solvation shell of the electron is explicitly incorporated. Results are presented for methanol, ethanol, and 1-propanol and compared to recent experiments. Although this increases the calculated relaxation times compared to calculations neglecting medium relaxation, the improvement in comparison with experimental values is small. This implies that orientational relaxation of molecular dipoles in the first solvation shell around a localized electron proceeds first and then the dielectric relaxation of the medium beyond the first solvations shell occurs to complete the electron solvation. The calculated temperature dependence for electron solvation in 1-propanol is non-Arrhenius and fits well with recent experimental data.
OSTI ID:
7341314
Journal Information:
J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 80:12; ISSN JPCHA
Country of Publication:
United States
Language:
English