He(I) excited photoelectron spectra of xanthine, theophylline, theobromine and caffeine are presented and discussed. The spectra are unequivocally assigned using CNDO calculations and comparison arguments to some related molecules. Methyl substitution effects proved to be a powerful tool for reliable assignments of the spectra. © 1978.
Electronic structure of xanthine and its biological methyl derivatives by u.v. photoelectron spectroscopy
GRANOZZI, GAETANO;TONDELLO, EUGENIO
1978
Abstract
He(I) excited photoelectron spectra of xanthine, theophylline, theobromine and caffeine are presented and discussed. The spectra are unequivocally assigned using CNDO calculations and comparison arguments to some related molecules. Methyl substitution effects proved to be a powerful tool for reliable assignments of the spectra. © 1978.
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