Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond

• Tipo: Artigo em Revista Científica Internacional
• Data: 2004

Autores

Maria D M C Ribeiro da Silva (Autor) Outra; Josï¿¿ R B Gomes (Autor) Outra; Jorge M Gonï¿¿alves (Autor) FCUP; Emanuel A Sousa (Autor) Outra; Siddharth Pandey (Autor) Outra; William E Acree, Jr. (Autor) Outra

Revista

Título: Organic and Biomolecular Chemistry

Vol. 2

Páginas: 2507-2512

ISSN: 1477-0520

Editora: Royal Society of Chemistry

Indexação

ISI Web of Knowledge - 23 Citações

Scopus - 24 Citações

Outras Informações

ID Authenticus: P-000-DB7

DOI: 10.1039/b408250h

Abstract (EN): The standard enthalpy of formation of the 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide compound in the gas-phase was derived from the enthalpies of combustion of the crystalline solid measured by static bomb combustion calorimetry and its enthalpy of sublimation determined by Knudsen mass-loss effusion at T=298.15 K. This value is (383.8+/-5.4) kJ mol(-1) and was subsequently combined with the experimental gas-phase enthalpy of formation of atomic oxygen and with the computed gas-phase enthalpy of formation of 2-amino-3-quinoxalinecarbonitrile, (382.0+/-6.3) kJ mol(-1), in order to estimate the mean (N-O) bond dissociation enthalpy in the gas-phase of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide. The result obtained is (248.3+/-8.3) kJ mol(-1), which is in excellent agreement with the B3LYP/6-311+G(2d,2p)//B3LYP/631G(d) computed value.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 6