Solvatochromic Study of Two Carbanion Monosubstituted 4-Tolyl-1,2,4-triazol-1-ium Phenacylids in Binary Hydroxyl Solvent Mixtures |
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| Authors: | Dana Ortansa Dorohoi Dan-Gheorghe Dimitriu Mihaela Maria Dulcescu-Oprea Ana Cezarina Morosanu Nicoleta Puica-Melniciuc Elena Ardelean Antonina Gritco-Todirascu Corina Cheptea |
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| Institution: | 1.Faculty of Physics, Alexandru Ioan Cuza University, 700506 Iasi, Romania; (D.O.D.); (M.M.D.-O.); (A.C.M.); (A.G.-T.);2.Regional Institute of Oncology, 700483 Iasi, Romania;3.Faculty of Orthodox Theology, Alexandru Ioan Cuza University, 700066 Iasi, Romania; (N.P.-M.); (E.A.);4.Department of Biomedical Sciences, Faculty of Biomedical Engineering, “Grigore T. Popa” University of Medicine and Pharmacy, 700454 Iasi, Romania; |
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| Abstract: | Two 4-tolyl-1,2,4-triazol-1-ium methylids, namely 4-tolyl-1,2,4-triazol-1-ium-phenacylid and 4-tolyl-1,2,4-triazol-1-ium-4′-nitro-phenacylid, are studied from solvatochromic point of view in binary solvent mixtures of water with ethanol and water with methanol. The contributions (expressed in percent) of the universal and specific interactions are separated from the spectral shifts recorded in the visible range for each composition of the binary solvent mixture. The essential role of the orientation and induction interactions in the studied solutions was demonstrated. Based on the statistic cell model of the binary solvent mixture solutions, the difference between the formation energies of ylid-water and ylid-alcohol complexes is estimated. The composition of the ylid’s first solvation shell was also established using the model of the binary solvent mixture solutions. The results obtained from the statistical cell model were compared with those obtained by using the Suppan’s model, resulting a good agreement. |
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| Keywords: | carbanion monosubstituted 4-tolyl-1 2 4-triazol-1-ium phenacylids solvatochromism hydroxylic solutions interaction energy in molecular pairs ylid-water and ylid-alcohol |
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