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Updated: Nov 2, 2025

Photogeneration of N-Heterocyclic Carbenes: Application in Photoinduced Ring-Opening Metathesis Polymerization
Published on: November 29, 2018
Photoinduced phenomena in water solution of melamine explaining the photostability of the compound
1Department of Physical Chemistry, University of Plovdiv, 4000, Plovdiv, Bulgaria. vdelchev@uni-plovdiv.net.
Abstract:
Two tautomers of melamine (triamino and imino-diamino) were studied at the BLYP/aug-cc-pVDZ theoretical level. It was found that the two tautomers are bridged with the 1πσ* excited-state reaction path. The high photostability of melamine in water solution was explained with the mechanism of ring deformation which occurs along the 1ππ* excited-state reaction path. The two mechanisms are investigated at the TD BLYP level of theory using the linear interpolation in internal coordinates approach.
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