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

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Article on the thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide and an evaluation of the mean dissociation enthalpy of the (N-O) bond.

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6 p.

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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) August 10, 2004.

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Article on the thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide and an evaluation of the mean dissociation enthalpy of the (N-O) bond.

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6 p.

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Abstract: 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/6-31G(d) computed value.

Copyright © The Royal Society of Chemistry 2004.

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  • Organic and Biomolecular Chemistry, 2004, Cambridge: Royal Society of Chemistry (Great Britain), pp. 2507-2512

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  • Publication Title: Organic and Biomolecular Chemistry
  • Volume: 2
  • Page Start: 2507
  • Page End: 2512
  • Pages: 6
  • Peer Reviewed: Yes

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  • August 10, 2004

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  • June 1, 2004

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  • July 21, 2004

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  • Oct. 2, 2015, 9:40 a.m.

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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). Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1, 4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond, article, August 10, 2004; [Cambridge, England]. (digital.library.unt.edu/ark:/67531/metadc725818/: accessed December 12, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.