A Quantum-Chemical Study of the Spectral and Luminescent Properties and Photolysis of Methyl[(4-aminophenyl)sulfonyl]carbamate

摘要

The spectral and luminescent properties and the photolysis of a neutral form of the isolated molecule of methyl[(4-aminophenyl)sulfonyl]carbamate (asulam) are interpreted with the aid of methods of quantum chemistry using the theory of intramolecular photophysical processes. It is shown that the breaking of the C-S bond in the molecule occurs according to the predissociation mechanism and is most efficient in the state T(πσ_(CS)~(*)). The photoinduced breaking of the N-S bond occurs according to the same mechanism and is most efficient in the state S(nπ_(NS)).