Del Valle, J. C.’s team published research in Journal of Molecular Structure: THEOCHEM in 86 | CAS: 63598-71-0

Journal of Molecular Structure: THEOCHEM published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Formula: C2H3N3.

Del Valle, J. C. published the artcileA theoretical study of the acidity of nitrogen heterocycles, Formula: C2H3N3, the publication is Journal of Molecular Structure: THEOCHEM (1992), 481-91, database is CAplus.

INDO and AM1 calculations of C-H and N-H deprotonation (acidity) of 20 nitrogen heterocycles were performed. Acidity is explained by taking into account lone pair repulsion, aza, and annelation effects. The AM1 method has to be corrected by adding 9 kcal mol-1 for each adjacent lone pair-lone pair interaction.

Journal of Molecular Structure: THEOCHEM published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Formula: C2H3N3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics