Theoretical Study of Tautomeric Conformations for 1,2,4-Triazole Derivatives

Theoretical Study of Tautomeric Conformations for 1,2,4-Triazole Derivatives

We have performing theoretical calculations of the 1,2,4-triazole derivatives using DFT B3LYP method to study the tautomeric conformations of 1,2,4-triazole-3-thiol (TL 2A and TL 2C) and 1,2,4-triazole-3-thione (TL 2B) derivatives. Then, we compare the obtained results to methyltriazole thioether (...

Full description

Bibliographic Details
Main Author: Radia Mahboub
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2021-03-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
1,2,4-Triazole
Tautomeric conformations
Methylthioether
Theoretical calculations
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/15672

Internet

https://periodicos.ufms.br/index.php/orbital/article/view/15672

Similar Items