Analyzed the influence of structural factors on the activation entropy of the radical decomposition reaction of aromatic nitro compounds. The main factor in the increase the rotation barrier of the bond C-NO 2 and pre-exponential factor of reaction is the direct polar conjugation donor substituents with acceptor.
квантово-химический расчет, ароматические нитросоединения, прямое полярное сопряжение, quantum-chemical calculation, aromatic nitro compounds, direct polar conjugation
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