Thermochemical properties of 4-N,N-dialkylamino-7-nitrobenzofurazan derivatives (alkyl = methyl, ethyl)

• Type: Article in International Scientific Journal
• Date: 2014

Authors

Ana Filipa L O M Santos (Author) Other; Ana L R Silva (Author) Other; Otilia D F Santiago (Author) Other; Jorge M Goncalves (Author) FCUP; Siddharth Pandey (Author) Other; Acree, WE (Author) Other; Maria D M C R Ribeiro da Silva (Author) FCUP

Journal

Title: Journal of Chemical Thermodynamics

Vol. 73

Pages: 62-68

ISSN: 0021-9614

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 5 Citations

Scopus - 5 Citations

Scientific classification

FOS: Engineering and technology > Mechanical engineering

CORDIS: Physical sciences > Chemistry > Physical chemistry

Other information

Authenticus ID: P-008-EN1

DOI: 10.1016/j.jct.2013.09.004

Abstract (EN): The standard (p degrees = 0.1 MPa) molar enthalpies of formation, at T = 298.15 K, in the gaseous phase, for two nitrobenzofurazan derivatives, 4-N,N-dimethylamino-7-nitrobenzofurazan (DMANBF) and 4-N,N-diethylamino-7-nitrobenzofurazan (DEANBF), were derived from their enthalpies of combustion and sublimation, obtained by static bomb calorimetry and by the Knudsen effusion technique, respectively. The results are compared with the corresponding data calculated by the G3(MP2)//B3LYP approach. Computationally, the molecular structures of both compounds were established and the geometrical parameters were determined at the B3LYP/6-31G(d) level of theory.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 7