For the first time it is researched of classical quantum chemical method DFT of modeling mechanism protonizataion of 2-methylbutene-2 – monomer of cationic polymerization. Showing, that he considerate some self usual mechanism connection proton to olefin corresponding Morkovnikov’s rule. Reaction exothermic and carry without a barrier character. Prize energy in result of reaction – 459 kDg/mol.
механизм протонирования, метод DFT, 2-метилбутен-2, правило Марковникова, mechanism protonizataion, method DFT, 2-methylbutene-2, Markovnikov's rule
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