Utilize este identificador para referenciar este registo:
https://hdl.handle.net/10216/82109
Autor(es): | Gomes, JRB Sousa, EA Goncalves, JM Monte, MJS Gomes, P Pandey, S Acree, WE da Silva, MDMCR |
Título: | Energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide |
Data de publicação: | 2005 |
Resumo: | The standard enthalpy of formation and the enthalpy of sublimation of crystalline 2-hydroxyphenazine-diN-oxide, at T = 298.15 K, were determined from isoperibol static bomb combustion calorimetry and from Knudsen effusion experiments, as -76.7 +/- 4.2 kJ center dot mol(-1) and 197 5 kJ center dot mol(-1), respectively. The sum of these two quantities gives the standard enthalpy of formation in the gas-phase for this compound, Delta(f)H(m)degrees(g) = 120 6 KJ center dot mol(-1). This value was combined with the gas-phase standard enthalpy of formation for 2-hydroxyphenazine retrieved from a group estimative method yielding the mean (N-O) bond dissociation enthalpy, in the gas-phase, for 2-hydroxyphenazine-di-N-oxide. The result obtained with this strategy is < DHmdegrees (N - O)> = 263 +/- 4 KJ center dot mol(-1), which is in excellent agreement with the B3LYP/6-311+G(2d,2p)// B3LYP/6-31G(d) computed value, 265 KJ center dot mol(-1). |
URI: | http://hdl.handle.net/10216/82109 |
Tipo de Documento: | Artigo em Revista Científica Internacional |
Condições de Acesso: | openAccess |
Aparece nas coleções: | FCUP - Artigo em Revista Científica Internacional |
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