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Journal of Structural Chemistry

2009 year, number 6

PHYSICOCHEMICAL STUDIES OF THE STRUCTURE OF N,N′-DINITROUREA AND ITS SALTS

S. G. Il'yasov, А. А. Lobanova, I. Y. Bagryanskaya, T. V. Rybalova, Y. V. Gatilov
Keywords: dinitrourea, tautomeric forms, potassium salts, IR, UV, XRD, quantum-chemical calculations
Pages: 1115-1120

Abstract

The properties and behavior of dinitrourea and its potassium and dipotassium salts in different solvents have been studied by IR and UV spectroscopy. In different media, dinitrourea can exist in several tautomeric forms. An XRD study of the potassium and dipotassium salts of dinitrourea revealed a tendency toward equalization of the bond lengths of the C-N--NO2 fragments compared with those of C-NH-NO2, which agrees with the results of quantum-chemical calculations.