Enthalpies of formation of amidyl free radicals |
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| Authors: | Yu. D. Orlov V. V. Turovtsev I. V. Stepnikov A. N. Kizin Yu. A. Lebedev |
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| Affiliation: | (1) Tver State University, 33 ul. Zhelyabova, 170000 Tver, Russian Federation;(2) V. N. Kondrat!["rsquo"]("/content/r614500hv41p43ru/xlarge8217.gif") yev NTO, 26 ul. Mashinostroitelnaya, 160029 Vologda, Russian Federation;(3) Tver State Medical Academy, 4 ul. Sovetskaya, 170000 Tver, Russian Federation;(4) Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153045 Ivanovo, Russian Federation |
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| Abstract: | The enthalpies of formation (#x0394;H°f) of twenty-one amidyl radical (R ) belonging to the formamidyl homological series were calculated using the published values of R—H bond dissociation energies. Among them, the  H°f values of nine radicals were first calculated and those of eight radicals were refined. Most of the H°f values of corresponding starting molecules RH (H°f(RH)) were obtained using the macroincrementing schemes. Based on the group additivity scheme, the  structure—enthalpy of formation relationships for the radicals considered were examined, the H°f(R) values were analyzed, and their reliability was confirmed. Parameters for calculating the H°f values of radicals belonging to this homologous series were suggested.Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1574–1577, August, 2004. |
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| Keywords: | free radicals polyfunctional formamidyl derivatives organic molecules enthalpies of formation bond dissociation energies phenomenological calculations structure— property relationships |
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