Structure, Vibrations, Molecular Orbitals, Reactivity Properties of 3-Trifluoromethylphenylchloroformate by FT-IR, FT-Raman, FT-NMR and DFT Studies

Abstract

Due to the high electronegativity and small size of fluorine, the replacement of hydrogen atoms by fluorine in organic compounds often results in the profound change in their physical and chemical properties, including the stability, high lipophilicity and bioavailability [1-3]. Organo fluorine compounds have found broad applications in both life science and material sciences. Around 20 % of all pharmaceuticals and 30-40 % of all agrochemicals on the market contain fluorine [4,5]. Nucleophilic and perfluoroalkylation using organometallic compounds of lithium, magnesium and zinc has been vastly studied [6]. Chloroformates are useful catalysts for the polymerization of unsaturated compounds and in the preparation of polycarbonates, polyesters and formaldehyde polymers. Chloroformates are used as intermediates in the synthesis of pesticides, herbicides, perfumes, pharmaceuticals, foods, polymers and dyes. Chloroformates are also used for conversion to peroxydicarbo