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Research Molecular Properties of Heterocyclic Compounds Heterocyclic compounds with the SO2 moiety J. Phys. Org. Chem., 470-476, 3 (1990)
Research Molecular Properties of Heterocyclic Compounds Heterocyclic compounds with the SO2 moiety J. Phys. Org. Chem., 470-476, 3 (1990)J. Phys. Org. Chem., 470-476, 3 (1990)
Structure of 1,2,6-thiadiazine 1,1-dioxides
Ab initio theoretical calculations were carried out on the three tautomers, NH, OH and CH, of 1,2,6-thiadiazine 1,1-dioxides. Different basis sets were employed in order to obtain an adequate description of these cyclic sulphamide derivatives. A coherent picture is obtained which includes relative stability of tautomers (NH > CH > OH), non-planarity of NH and CH tautomers and electronic distribution (Boys' localized orbitals).