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Issue 17, 2004
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Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide. Evaluation of the mean dissociation enthalpy of the (N–O) bond

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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.

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

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Publication details

The article was received on 01 Jun 2004, accepted on 21 Jul 2004 and first published on 10 Aug 2004


Article type: Paper
DOI: 10.1039/B408250H
Org. Biomol. Chem., 2004,2, 2507-2512

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

    M. D. M. C. Ribeiro da Silva, J. R. B. Gomes, J. M. Gonçalves, E. A. Sousa, S. Pandey and W. E. Acree, Jr., Org. Biomol. Chem., 2004, 2, 2507
    DOI: 10.1039/B408250H

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