Thermochemistry of amino-1,2,4-triazole derivatives

• Type: Article in International Scientific Journal
• Date: 2024

Authors

Amaral, LMPF (Author) FCUP; Carvalho, TMT (Author) Other; Maria D M C R Ribeiro da Silva (Author) FCUP

Journal

Title: Journal of Thermal Analysis and Calorimetry

ISSN: 1388-6150

Publisher: Springer Nature

Indexing

ISI Web of Knowledge - 1 Citation

Scopus - 1 Citation

Other information

Authenticus ID: P-010-C6E

DOI: 10.1007/s10973-024-13161-0

Abstract (EN): The present work is focused on determining the enthalpy of formation of several derivatives of amino-1,2,4-triazoles. Experimentally, the enthalpies of formation of the crystalline phase and the enthalpies of sublimation of 3-amino- and 3,5-diamino-1H-1,2,4-triazole were derived, respectively, from static-bomb combustion calorimetry and Calvet microcalorimetry or Knudsen effusion measurements. For 4-amino-4H-1,2,4-triazole, only the enthalpy of sublimation was measured. Gas-phase standard molar enthalpies of formation were also estimated using theoretical calculations performed with the G3(MP2) composite approach. The very good agreement of these estimates with the experimental results, support the extension of this study to the estimate of this property for the remaining compounds not studied experimentally. The results obtained are interpreted in terms of structural contributions.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 9