Thermochemical studies on 3-methyl-quinoxaline-2-carboxamide-1,4-dioxide derivatives: Enthalpies of formation and of N-O bond dissociation

• Tipo: Artigo em Revista Científica Internacional
• Data: 2007

Autores

Gomes, JRB (Autor) Outra; Sousa, EA (Autor) Outra; Gomes, P (Autor) FCUP; Vale, N (Autor) FCUP; Goncalves, JM (Autor) FCUP; Pandey, S (Autor) Outra; Acree, WE (Autor) Outra; Ribeiro Da Silva, MDMC (Autor) FCUP

Revista

Título: Pain Medicine

Vol. 111

Páginas: 2075-2080

ISSN: 1526-2375

Editora: Oxford University Press

Indexação

ISI Web of Knowledge - 14 Citações

Scopus - 15 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-004-BJF

DOI: 10.1021/jp067818c

Abstract (EN): The standard molar enthalpies of formation of the 3-methyl-N-R-2- quinoxalinecarboxamide-1,4-dioxides (R = H, phenyl, 2-tolyl) in the gas phase were derived using the values for the enthalpies of combustion of the crystalline compounds, measured by static bomb combustion calorimetry, and for the enthalpies of sublimation, measured by Knudsen effusion, at T = 298.15 K. These values have also been used to calibrate a computational procedure that has been employed to estimate the gas-phase enthalpies of formation of the corresponding 3-methyl-N-R-2-quinoxalinecarboxamides and also to compute the first, second, and mean N-O bond dissociation enthalpies in the gas phase. It is found that the size of the substituent almost does not influence the computed N-O bond dissociation enthalpies; the maximum enthalpic difference is ¿5 kJ·mol-1. © 2007 American Chemical Society.

Idioma: Inglês

Tipo (Avaliação Docente): Científica