(1) Laboratorio di Chimica Quantistica ed Energetica Molecolare del C.N.R., Via Risorgimento, 35, I-56100 Pisa, Italy;(2) Istituto di Ricerche G. Donegani, Via Fauser, 4, I-28100 Novara, Italy
Abstract:
Ab initio SCF-MO-LCAO calculations have been performed with a 7s3p/3s GTO basis set for the CH3O--lactam + OH– reaction which is related to the mode of action of -lactam antibiotics. The comparison of the present results with the previous ones for -lactam + OH– and 3-cephem + OH– shows that the CH3O substitution has a negligible effect on the amidic bond breaking of -lactam, so that this group probably influences other steps of the antibiotic reactivity of cephaloporins.