Oxygen and sulfur heterocyclic compounds Perspectives on the energetic and structural relationships

• Tipo: Artigo em Revista Científica Internacional
• Data: 2015

Autores

Vera L S Freitas (Autor) Outra; Maria D M C R Ribeiro da Silva (Autor) FCUP

Revista

Título: Journal of Thermal Analysis and Calorimetry

Vol. 121

Páginas: 1059-1071

ISSN: 1388-6150

Editora: Springer Nature

Indexação

ISI Web of Knowledge - 20 Citações

Scopus - 21 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-00G-CME

DOI: 10.1007/s10973-015-4800-0

Abstract (EN): The knowledge of the thermodynamic properties of heterocyclic compounds, particularly the corresponding enthalpies of formation in condensed and gaseous states, enables a better understanding of their chemical behavior and, consequently, leads to an important background for the future development of their practical applications. Following our particular interest along the last decade on the establishment of energetic and structural relationships for heterocycle compounds with one or two benzene rings fused to a five- or six-membered ring containing oxygen or sulfur heteroatoms, we review the thermochemical data for derivatives of the following main structures: benzoxazole/benzothiazole, dibenzofuran/dibenzothiophene, xanthene/thioxanthene, and phenoxazine/phenothiazine. The experimental results, obtained by calorimetric and effusion techniques, namely static and rotating bomb combustion calorimetry, vacuum sublimation/vaporization drop microcalorimetry, and Knudsen effusion methods, were used to derive reliable thermodynamic values for the compounds studied. A complementary analysis of computational results for these molecules is presented. The agreement between the calculated and the experimental gas-phase enthalpies of formation represents a reinforcement on the validation of the established predictive schemes, supporting their use for related compounds whose energetic study is not available.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 13