Abstract

Infrared spectra of 5-methylcytosine in an argon matrix are reported. The results indicate that three tautomeric forms, amino-hydroxy, amino-oxo, and imino-oxo, exist simultaneously in the matrix. A UV-induced transformation of the amino-oxo form to the amino-hydroxy form was observed and utilized to separate the spectra of the tautomers. Ab initio quantum chemical calculations of the normal modes performed at the SCF/3-21G level of the theory for the three tautomers enable positive assignment of most of the observed bands

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