Revisiting dibenzothiophene thermochemical data: Experimental and computational studies
Revisiting dibenzothiophene thermochemical data: Experimental and computational studies
复制标题
DOI：
10.1016/j.jct.2009.05.019
复制
发表时间：
2009-11-01
影响因子：
2.6
通讯作者：
Ribeiro da Silva, Maria D. M. C.
中科院分区：
文献类型：
--
作者：
Freitas, Vera L. S.;Gomes, Jose R. B.;Ribeiro da Silva, Maria D. M. C.
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.
