Journal of thermal analysis and calorimetry, 2020-07, Vol.141 (2), p.819-828
2020
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- Autor(en) / Beteiligte
- Titel
- Enthalpy of formation for indazoles (indazole, 1H-indazole-3-carboxylic acid, 1H-indazole-5-carboxylic acid, 1H-indazole-6-carboxylic acid and 1-methyl-1H-indazole-6-carboxylic methyl ester): experimental and theoretical studies
- Ist Teil von
- Journal of thermal analysis and calorimetry, 2020-07, Vol.141 (2), p.819-828
- Ort / Verlag
- Cham: Springer International Publishing
- Erscheinungsjahr
- 2020
- Quelle
- SpringerLink
- Beschreibungen/Notizen
- The molar standard enthalpy of formation in condensed and gas phases of indazole, 1 H -indazole-3-carboxylic acid, 1 H -indazole-5-carboxylic acid, 1 H -indazole-6-carboxylic acid and 1-methyl-1 H -indazole-6-carboxylic methyl ester is reported. These properties were obtained indirectly from experimental determinations of the compounds using isoperibolic calorimetry and thermogravimetry. The values obtained for enthalpy of formation in the gas phase were compared with the computational results by means of the auxiliary density functional theory using deMon2k. The influence of the carbonyl and acetate groups on this type of compounds is analyzed energetically and structurally. The results obtained were compared and discussed with the data found in the literature.
- Sprache
- Englisch
- Identifikatoren
- ISSN: 1388-6150eISSN: 1588-2926DOI: 10.1007/s10973-019-09078-8Titel-ID: cdi_proquest_journals_2414021125
- Format
- –
- Schlagworte
- Acids, Analytical Chemistry, Calorimetry, Carbonyls, Carboxylic acids, Chemistry, Chemistry and Materials Science, Comparative analysis, Density functional theory, Density functionals, Enthalpy, Inorganic Chemistry, Measurement Science and Instrumentation, Physical Chemistry, Polymer Sciences, Thermogravimetry, Vapor phases