Thermochemistry of biphenylcarboxylic and dicarboxylic acids. A combined experimental and theoretical study

• Type: Article in International Scientific Journal
• Date: 2004

Authors

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

Journal

Title: Organic and Biomolecular Chemistry

Vol. 2

Pages: 1353-1358

ISSN: 1477-0520

Publisher: Royal Society of Chemistry

Indexing

ISI Web of Knowledge - 9 Citations

Scopus - 9 Citations

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-000-DB3

DOI: 10.1039/b401605j

Abstract (EN): The standard molar enthalpies of combustion and sublimation of 2- and 4-biphenylcarboxylic acid, 2,2'- and 4,4'-biphenyldicarboxylic acid were measured and the gas-phase enthalpies of formation, at T = 298.15 K, were determined. Ab initio calculations were performed and a theoretical study on molecular structure of all the biphenyl acid isomers has been carried out. Calculated enthalpies of formation using appropriate isodesmic reactions are compared with experimental values, and a good agreement is observed. Estimates of enthalpies of formation for the isomers, which were not studied experimentally, are presented. All the acids containing at least one ortho COOH are comparatively less stable than their isomers having just meta or para COOH group(s).

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 6