Journal of Chemical Thermodynamics, Vol.41, No.11, 1199-1205, 2009
Revisiting dibenzothiophene thermochemical data: Experimental and computational studies
Thermochemical data of dibenzothiophene were studied in the present work by experimental techniques and computational calculations. The standard (p degrees = 0.1 MPa) molar enthalpy of formation, at T = 298.15 K, in the gaseous phase, was determined from the enthalpy of combustion and sublimation, obtained by rotating bomb calorimetry in oxygen, and by Calvet microcalorimetry, respectively. This value was compared with estimated data from G3(MP2)//B3LYP computations and also with the other results available in the literature. (C) 2009 Elsevier Ltd. All rights reserved.
Keywords:Dibenzothiophene;Enthalpy of combustion;Enthalpy of sublimation;Enthalpy of formation;Combustion calorimetry;Calvet microcalorimetry;G3(MP2)//B3LYP calculations;Heat capacities;Fluorene