Thermochemistry of diphenic anhydride. A combined experimental and theoretical study

• Tipo: Artigo em Revista Científica Internacional
• Data: 2005

Autores

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

Revista

Título: Molecular Physics

Vol. 103

Páginas: 1885-1894

ISSN: 0026-8976

Editora: Taylor & Francis

Indexação

ISI Web of Knowledge - 9 Citações

Scopus - 9 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Física

Outras Informações

ID Authenticus: 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.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 10