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Solvation structure of excess electrons in ethanol and ethanol/2-methyltetrahydrofuran mixtures

Journal Article · · Journal of Physical Chemistry; (USA)
DOI:https://doi.org/10.1021/j100352a057· OSTI ID:6986005
The solvation structures of excess electrons in {gamma}-irradiated ethanol and ethanol/2-methyltetrahydrofuran mixtures at 77 K have been determined by analyzing their optical absorption spectra. In the mixed matrices, the electrons show 5 spectral components with the absorption maxima at the wavenumbers 8.3, 10.2, 13.5, 16.6, and 19.0 {times} 10{sup 3} cm{sup {minus}1}, respectively. The relative intensities of these components depend on the concentration of ethanol. The first component is the same as the absorption spectrum of excess electrons in neat 2-methyltetrahydrofuran. The second, the third, the fourth, and the fifth components are due to the excess electrons solvated by one, two, three, and four ethanol molecules, respectively, with the molecular dipoles pointing toward the electron. In neat ethanol, two-third of the excess electrons are solvated by 4 ethanol molecules, with the molecular dipoles pointing toward the electron. The remaining electrons are also surrounded by four ethanol molecules. However, the molecular dipole of one of the four ethanol molecules does not point toward the electron. The possible structure of the electron localized in water is also discussed.
OSTI ID:
6986005
Journal Information:
Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 93:15; ISSN JPCHA; ISSN 0022-3654
Country of Publication:
United States
Language:
English