Guedira, F.; Ouijja, N.; Zaydoun, S.; Komiha, N.; Lautie, A.; Idrissi, M. Saidi published the artcile< Vibrational and theoretical study of the protonation of 3,4'-bi-1,2,4-triazole and its C-brominated and C-methylated derivatives>, Electric Literature of 389122-08-1, the main research area is bitriazole protonation vibrational spectra exptl theor; bromo derivative bitriazole protonation vibrational spectra exptl theor; methyl derivative bitriazole protonation vibrational spectra exptl theor.
An approach to determine the structure of protonated 3,4′-di-1,2,4-triazoles was carried out using the semi-empirical M.N.D.O. (MNDO) method. The results obtained for 3,4′-di-1,2,4-triazole show that the isolated state of the N1H form has great stability, and indicated that its protonation mainly occurs on one of the pyridine type N of the 4-triazolyl group. The vibration spectra of the di-1,2,4-triazolium, 5-methyl-di-1,2,4-triazolium and 5-bromo-di-1,2,4-triazolium chlorides were studied between 4000 and 200 cm-1. An attribution of the fundamental modes is proposed, and the effect of protonation on the normal vibration frequencies is discussed. Using these spectroscopic results, the strength and type of H bonds existing in the crystal could be assessed and a mol. structure proposed.
Canadian Journal of Analytical Sciences and Spectroscopy published new progress about Chemical chains. 389122-08-1 belongs to class triazoles, and the molecular formula is C2H3BrN4, Electric Literature of 389122-08-1.
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics