Study on the electronic and molecular structures of fluorocyclopropyl derivatives

Abstract

The synthesis of 1,2-Dichlorodifluorocyclopropene had been carried out by the fluorination of tetrachlorocyclopropene. 1-Lithio-2-chlorodifluorocyclopropene was prepared through the lithium-chlorine exchange reaction with 1,2-Dichlorodifluorocyclopropene and n-Butyllithium. CNDO/2 calculation was carried out on hexafluorocyclopropane, tetrafluorocyclopropene, 1,2-Dichlorodifluorocycloprepene and 1-Lithio-2-chlorodiflurocyclopropene. A partial geometry optimization was carried out on 1-Lithio-2-chlorodifluorocyclopropene. We have obtained electronic structures, total energies, and dipole monents of these compounds.