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A. Pomogaeva

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Sep 2026

Computational Insights Into Pyridine Chlorination by Molecular Chlorine: Cooperative Effects of Solvent Polarity and Bimolecular Assistance

The mechanism of pyridine chlorination by molecular chlorine was investigated in detail using quantum chemical methods (M06‐2X/def2‐TZVP) in both the gas phase and acetonitrile solution. The reaction mechanisms involve the heterolytic dissociation of Cl 2 , facilitated by the prior formation of the halogen‐bonded...

A. Y. Timoshkin, A. Lisovenko, A. Pomogaeva · 0 citations

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