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Proceedings Paper

Intermolecular interactions in ternary solutions of some 1,2,4-triazolium ylids studied by spectral means
Author(s): Valentina Closca; Nicoleta Melniciuc-Puica; Dana Ortansa Dorohoi; A. C. Benchea
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Paper Abstract

Triazolium ylids are dipolar molecules with separated charges in their ground electronic state; the positive charge is located on one Nitrogen atom belonging to the heterocycle and the negative charge is located near the ylid carbanion. The intramolecular charge transfer from the carbanion to heterocycle gives a visible electronic absorption band, very sensitive to the solvent nature. Its position in the wavenumber scale offers information about the intermolecular interactions in which the ylid molecules are engaged. The spectral study revealed the presence of both universal and specific interactions in solutions of 1,2,4-triazolium ylids with protic solvents. By choosing adequate binary solvents, the contribution of the specific interaction of the weak hydrogen bond between the –OH atomic group of the protic solvents and the ylid carbanion can be estimated. Ternary solutions of the studied ylids achieved with Methanol +Benzene, Water + Ethanol and 1,3 Propanediol + Dimethyl formamide binary solvents are analyzed from spectral point of view and the difference between the potential energies in molecular pairs of the types: 1,2,4-triazolium ylid-protic solvent and 1,2,4-triazolium ylid-non protic were estimated on the basis of the statistic cell model of ternary solutions.

Paper Details

Date Published: 22 August 2014
PDF: 9 pages
Proc. SPIE 9286, Second International Conference on Applications of Optics and Photonics, 92862T (22 August 2014); doi: 10.1117/12.2063764
Show Author Affiliations
Valentina Closca, Univ. Alexandru Ioan Cuza (Romania)
Nicoleta Melniciuc-Puica, Univ. Alexandru Ioan Cuza (Romania)
Dana Ortansa Dorohoi, Univ. Alexandru Ioan Cuza (Romania)
A. C. Benchea, Univ. Alexandru Ioan Cuza (Romania)

Published in SPIE Proceedings Vol. 9286:
Second International Conference on Applications of Optics and Photonics
Manuel Filipe P. C. Martins Costa; Rogério Nunes Nogueira, Editor(s)

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