title: Thermochemical studies on 3-methyl-quinoxaline-2-carboxamide-1,4-dioxide derivatives: enthalpies of formation and of N-O bond dissociation.
abstract: 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 approximately 5 kJ.mol-1.
authors.affiliation: Centro de Investigação em Química, Departamento de Química, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto, Portugal.
authors.forename: José R B
authors.initials: JR
authors.lastname: Gomes
authors.forename: Emanuel A
authors.initials: EA
authors.lastname: Sousa
authors.forename: Paula
authors.initials: P
authors.lastname: Gomes
authors.forename: Nuno
authors.initials: N
authors.lastname: Vale
authors.forename: Jorge M
authors.initials: JM
authors.lastname: Gonçalves
authors.forename: Siddharth
authors.initials: S
authors.lastname: Pandey
authors.forename: William E
authors.initials: WE
authors.lastname: Acree
authors.forename: Maria D M C
authors.initials: MD
authors.lastname: Ribeiro da Silva