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Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides

Neculai Doru Miron
Georgiana Surpateanu
Irinel Badea
Francine Cazier
Gheorghe Surpateanu

Puni tekst: engleski, pdf (97 KB) str. 553-558 preuzimanja: 601* citiraj
APA 6th Edition
Doru Miron, N., Surpateanu, G., Badea, I., Cazier, F. i Surpateanu, G. (2006). Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides. Croatica Chemica Acta, 79 (4), 553-558. Preuzeto s https://hrcak.srce.hr/5762
MLA 8th Edition
Doru Miron, Neculai, et al. "Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides." Croatica Chemica Acta, vol. 79, br. 4, 2006, str. 553-558. https://hrcak.srce.hr/5762. Citirano 13.12.2019.
Chicago 17th Edition
Doru Miron, Neculai, Georgiana Surpateanu, Irinel Badea, Francine Cazier i Gheorghe Surpateanu. "Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides." Croatica Chemica Acta 79, br. 4 (2006): 553-558. https://hrcak.srce.hr/5762
Harvard
Doru Miron, N., et al. (2006). 'Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides', Croatica Chemica Acta, 79(4), str. 553-558. Preuzeto s: https://hrcak.srce.hr/5762 (Datum pristupa: 13.12.2019.)
Vancouver
Doru Miron N, Surpateanu G, Badea I, Cazier F, Surpateanu G. Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides. Croatica Chemica Acta [Internet]. 2006 [pristupljeno 13.12.2019.];79(4):553-558. Dostupno na: https://hrcak.srce.hr/5762
IEEE
N. Doru Miron, G. Surpateanu, I. Badea, F. Cazier i G. Surpateanu, "Studies on the Acid–Base Equilibrium of Some Benzotriazolium Ylides", Croatica Chemica Acta, vol.79, br. 4, str. 553-558, 2006. [Online]. Dostupno na: https://hrcak.srce.hr/5762. [Citirano: 13.12.2019.]

Sažetak
Acidity constants of benzotriazolium salts and the corresponding ylides represent quantitative parameters for the estimation of their stability. Experimental pKa values were determined using UV-spectrometry. For each species involved in acid-base equilibria, the theoretical total energies Et, solvatation energies Es and UV-VIS electronic transitions were calculated by AM1, PM3, RHF/6-31G*, AM1/H2O and ZINDO methods, respectively. Theoretical parameters confirm the experimental pKa values. Acidity constants together with theoretical energies constitute critical parameters for achieving good yields for the synthesis of ylides from their corresponding benzotriazolium salts.

Ključne riječi
benzotriazolium salts; ylides; acidity constants; theoretical parameters

Hrčak ID: 5762

URI
https://hrcak.srce.hr/5762

Posjeta: 915 *