Thermochemistry of diphenic anhydride. A combined experimental and theoretical study

• Type: Article in International Scientific Journal
• Date: 2005

Authors

Matos, MAR (Author) FCUP; Miranda, MS (Author) Other; Pinto, NAB (Author) Other; Morais, VMF (Author) ICBAS; Dhananjaya, N (Author) Other; Liebman, JF (Author) Other

Journal

Title: Molecular Physics

Vol. 103

Pages: 1885-1894

ISSN: 0026-8976

Publisher: Taylor & Francis

Indexing

ISI Web of Knowledge - 9 Citations

Scopus - 9 Citations

Scientific classification

FOS: Natural sciences > Physical sciences

Other information

Authenticus ID: P-000-2B8

DOI: 10.1080/00268970500096301

Abstract (EN): The standard (p degrees = 0.1 MPa) molar enthalpy of formation for solid and gaseous diphenic anhydride (2,2'-biphenyldicarboxylic anhydride, dibenz[c,e] oxepin-5,7-dione) was derived from the standard molar enthalpy of combustion, in oxygen, at T 298.15 K, measured by static bomb combustion calorimetry, and the standard molar enthalpy of sublimation, at T = 298.15 K, measured by Calvet microcalorimetry: -(258.4 +/- 4.9) kJ mol(-1). In addition, ab initio and density functional theory calculations have been performed at a variety of levels. The degree of aromaticity of diphenic anhydride is discussed in the context of other oxygen-containing (ring and keto) heterocycles and related carbocycles: this species is surprisingly destabilized.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 10