The alternative mechanisms of thermal gas phase decomposition’s primary act of o-nitrotoluene were considered in this article. It is proven that the most energy advantageous primary act of decomposition of o-nitrotoluene is linked with the formation of its aci-form. Another alternative processes has activation barriers with substantial exceed of experimental estimation. The secondary processes are the limiting stages of o-nitrotoluenes thermal destruction channel (linked with the process of transferring of hydrogen’s atom from hydrogen-containing substituent to nitro group). The values of relational activation enthalpies of schemes serial reactions shows ambiguity in the further development of the process.
теоретическое исследование, о-нитротолуол, механизм термического распада, энтальпии активации, аци-форма, бициклические интермедиаты, theoretical study, o-nitrotoluene, mechanism of thermal destruction, activation enthalpies, aci-form, bicyclic intermediates
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