Thermodynamics of the intermolecular and intramolecular bonds in the benzimidazole molecule

The present work is concerned with a thermodynamic study of benzimidazole (general formula: C7H6N2) It was achieved using four techniques: combustion calorimetry of small amounts of substance (a few milligrams), sublimation calorimetry, differential thermal analysis and heat capacity measurements. From this study, it was possible: to determine the enthalpies of combustion, sublimation and fusion of this compound as well as its triple point temperature; to determine the experimental resonance energy and to compare it with the theoretical value; to determine the atomization enthalpy and to compare it with the value calculated from the energetical contributions of the intramolecular bonds; and to determine the intermolecular enthalpy bonds. (C) 1998 Elsevier Science B.V.