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Publications (5/5 displayed)
- 2024Thermochemistry of amino-1,2,4-triazole derivativescitations
- 2017Energetic Effect of the Carboxylic Acid Functional Group in Indole Derivativescitations
- 2014Enthalpy of formation of 5-fluoro-1,3-dimethyluracil: 5-Fluorouracil revisitedcitations
- 2014Experimental thermochemical study of 2-chloroacetophenone and 2,4'-dichloroacetophenonecitations
- 2011Thermochemical study of 2,5-dimethyl-3-furancarboxylic acid, 4,5-dimethyl-2-furaldehyde, and 3-acetyl-2,5-dimethylfurancitations
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document
Thermochemistry of amino-1,2,4-triazole derivatives
Abstract
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.