INTERACTION ENERGY IN PAIRS OF 4’-ARYL-1, 2, 4- TRIAZOL-1-IUM-(p)-CHLORO-PHENACYLIDS AND HYDROXYL SOLVENTS

Autor/autori: CEZARINA MOROSANU, VALENTINA CLOSCA, NICOLETA MELNICIUC-PUICA AND DANA ORTANSA DOROHOI


Abstract: The electronic absorption spectra of two Aryl-1,2,4-triazol-1-ium-(p)-chlorophenacylids were recorded in ternary solutions and the difference of interaction energies in molecular pairs of the types: ylid - protic solvent and ylid - non-protic solvent, respectively, was estimated in the limits of the statistical cell model of ternary solutions. This kind of study is important for the researchers working in Quantum Chemistry interested in experimental values of the molecular parameters to be used in molecular modelling.

Keywords: triazolium ylids; electronic absorption spectra; potential energy in molecular pairs; ternary solutions

 

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