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Article on thermodynamic properties of quinoxaline-1,4-dioxide derivatives and a combined experimental and computational study.
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8 p.
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Abstract: The mean (N−O) bond dissociation enthalpies were derived for three 2-methyl-3-(R)-quinoxaline 1,4-dioxide (1) derivatives, with R = methyl (1a), ethoxycarbonyl (1b), and benzyl (1c). The standard molar enthalpies of formation in the gaseous state at T = 298.15 K for the three 1 derivatives were determined from the enthalpies of combustion of the crystalline solids and their enthalpies of sublimation. In parallel, accurate density functional theory-based calculations were carried out in order to estimate the gas-phase enthalpies of formation for the corresponding quinoxaline derivatives. Also, theoretical calculations were used to obtain the first and second N−O dissociation enthalpies. These dissociation enthalpies are in excellent agreement with the experimental results herewith reported.
Reprinted with permission from the Journal of Organic Chemistry. Copyright 2004 American Chemical Society.
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Silva, Maria D. M. C. Ribeiro da; Gomes, José R. B.; Gonçalves, Jorge M.; Sousa, Emanuel A.; Pandey, Siddharth & Acree, William E. (William Eugene).Thermodynamic Properties of Quinoxaline-1,4-Dioxide Derivatives: A Combined Experimental and Computational Study,
article,
March 16, 2004;
[Washington, D.C.].
(https://digital.library.unt.edu/ark:/67531/metadc335322/:
accessed April 9, 2019),
University of North Texas Libraries, Digital Library, https://digital.library.unt.edu;
crediting UNT College of Arts and Sciences.
