Revisiting dibenzothiophene thermochemical data: Experimental and computational studies

• Type: Article in International Scientific Journal
• Date: 2009

Authors

Vera L S Freitas (Author) Other; Jose R B Gomes (Author) Other; Maria D M C R Ribeiro da Silva (Author) FCUP

Journal

Title: Journal of Chemical Thermodynamics

Vol. 41

Pages: 1199-1205

ISSN: 0021-9614

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 35 Citations

Scopus - 34 Citations

Scientific classification

FOS: Engineering and technology > Mechanical engineering

Other information

Authenticus ID: P-003-EQ6

DOI: 10.1016/j.jct.2009.05.019

Abstract (EN): 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.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 7