Inorganic Nitrile Halides in the Synthesis of Halogen-, Nitro- and Halogenated Nitro-Products

Inorganic nitrile halides have been studied theoretically by quantum-chemical approach and experimentally in the reactions of halogenation, nitration nitro halogenation aromatic compounds alkynes. The generation was eventually proved can be carried out using iodine system (alkali metal halides) presence alkali nitrates an acetic acid medium. It has found that reaction give products iodination, nitration, as well cyclization, oxidation depending on nature halogen. To predict theoretical calculations for intermediate particles – standard Gaussian‑03 software package were out. possibility NO2Hal formation approved from quantum calculations. Furthermore geometry mechanism their homo- or heterolytic decay represented