Transformation of 1,1-Dichloro-2,2-bis(4-nitrophenyl)ethene in the Reaction with Nitrite Ion in Polar Aprotic Solvents

摘要

The reaction of 1,1-dichloro-2,2-bis(4-nitrophenyl)ethene with sodium nitrite in polar aprotic solvents has been studied. Products of the reaction have been identified, and effects of different factors, including reactant dissociation and solvation, on the reaction rate constants have been analyzed. Thermodynamic parameters of the reaction have been determined, the multistep process has been simulated by quantum chemical calculations, and a plausible mechanism has been proposed.