Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound

• Type: Article in International Scientific Journal
• Date: 2010

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. 42 No. 10

Pages: 1248-1254

ISSN: 0021-9614

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 22 Citations

Scopus - 21 Citations

Scientific classification

FOS: Engineering and technology > Mechanical engineering

Other information

Authenticus ID: P-003-2FY

DOI: 10.1016/j.jct.2010.04.027

Abstract (EN): The energetic effects caused by replacing one of the methylene groups in the 9,10-dihydroanthracene by ether or ketone functional groups yielding xanthene and anthrone species, respectively, were determined from direct comparison of the standard (p degrees = 0 1 MPa) molar enthalpies of formation in the gaseous phase, at T = 298.15 K. of these compounds. The experimental static-bomb combustion calorimetry and Calvet microcalorimetry and the computational G3(MP2)//B3LYP method were used to get the standard molar gas-phase enthalpies of formation of xanthene. (41 8 +/- 3 5) kJ mol(-1), and anthrone, (31 4 +/- 3 2) kJ mol(-1) The enthalpic increments for the substitution of methylene by ether and ketone in the parent polycyclic compound (9,10-dihydroanthracene) are -(1179 +/- 5 5) kJ mol(-1) and -(1283 +/- 5.4) kJ mol(-1), respectively

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 7