Bond energies and formation enthalpies of mono- and polyradicals in nitroalkanes 1. Nitromethanes |
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| Authors: | E A Miroshnichenko T S Kon’kova Ya O Inozemtsev V P Vorob’eva Yu N Matyushin S A Shevelev |
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| Institution: | (1) Department of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USA |
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| Abstract: | The enthalpies of formation of nitromethane derivatives were obtained on the basis of experimental and literature data. The
procedure for the calculation of the bond dissociation energies in nitromethanes from the atomization enthalpies and energies
of nonvalent interactions of nitro groups was proposed. The calculated values were compared with the data on the thermal decomposition
kinetics. The atomization enthalpies and energies of nonvalent interactions of nitro groups were also used for the calculation
of the bond dissociation energies in radicals. |
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