Identity of the Radicals Observed by ESR in Aqueous Solutions of Uracil during Fast Electron Irradiation

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Abstract
Aqueous solutions of uracil were studied during their irradiation with fast electrons. Spectra, which were clearly due to the previously reported radical species, were reported here. Unlike the previous work, however, attempts were made to identify the radicals responsible for the spectra with the help of INDA [intermediate neglect of differential overlap] and CNDO [complete neglect of differential overlap] molecular orbital calculations. The radicals observed in aqueous solutions of uracil apparently were produced by OH attack at C (5) leading to a radical having a keto group at this point. They do not support, however, the suggested ring opening at pH 11-12.5, and the radical formed may be of .sigma. type.

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