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Experimental and theoretical thermochemical studies of imidazole, imidazole-2-carboxaldehyde and 2-aminobenzimidazole
Thermochimica Acta ( IF 3.1 ) Pub Date : 2020-11-01 , DOI: 10.1016/j.tca.2020.178756
Carmen Salomón-Santiago , Gastón Perdomo , Henoc Flores-Segura , Rafael Notario , E. Orozco-Guareño

Abstract Here were determined the molar standard enthalpies of formation, Δ f H m ° (s), at T = 298.15 K of imidazole, imidazole-2-carboxaldehyde and 2-aminobenzimidazole from their respective molar standard energies of combustion, obtained by static combustion calorimetry. Enthalpies of sublimation, Δ s g H m ° , at T = 298.15 K were obtained by thermogravimetry measurements. Using data for Δ f H m ° (s) and Δ s g H m ° , the gas phase enthalpies of the two imidazole-derived compounds were calculated. The enthalpy increases due to certain functional groups attached to the imidazole (IM) molecule, and were analyzed that change in the enthalpies using the experimental gas phase enthalpy of formation data. By using theoretical methods, namely G3 and G4, the enthalpies of formation of the compounds under study were obtained and were compared with the experimental ones. In addition, the purity, the melting temperature, the enthalpy of fusion and the heat capacity of the compounds were determined by differential scanning calorimetry.

中文翻译:

咪唑、咪唑-2-甲醛和2-氨基苯并咪唑的实验和理论热化学研究

摘要 这里从静态燃烧得到的咪唑、咪唑-2-甲醛和2-氨基苯并咪唑各自的摩尔标准燃烧能确定了T = 298.15 K 时的摩尔标准生成焓Δ f H m ° (s)量热法。通过热重测量获得 T = 298.15 K 时的升华焓 Δ sg H m ° 。使用 Δ f H m ° (s) 和 Δ sg H m ° 的数据,计算了两种咪唑衍生化合物的气相焓。由于某些官能团连接到咪唑 (IM) 分子,因此焓增加,并且使用实验气相地层焓数据分析了焓的变化。通过使用理论方法,即 G3 和 G4,获得了所研究化合物的生成焓,并与实验结果进行了比较。此外,通过差示扫描量热法测定化合物的纯度、熔化温度、熔化焓和热容量。
更新日期:2020-11-01
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