Quantum-Chemical Investigation of the Mechanism of Fluorocyclization of Norbornenecarboxylic Acids by the Action of F-TEDA-BF4

Possible paths for the reaction of norbornenecarboxylic acids with model F-TEDA-BF₄ were studied by the semiempirical PM3 method. The activation energies of the main transformations in the initial reagents and intermediates were determined. Conclusions were reached about the effect of their reaction mechanisms on the distribution of the products.     

Synthesis of γ-fluorotrinitroalkanes

Conclusions 1-Fluoro-2-methyl-3, 3,3-trinitropropane, 1-fluoro-2-ethyl-3,3,3-trinitropropane, and 1-fluoro-1, 2-dimethyl-3, 3, 3-trinitropropane have been prepared by fluorination of polynitromercury compounds with elemental fluorine.Translated from Izvestiya. Akademii Nauk SSSR, Seriya. Khimicheskaya, No. 7, pp. 1601–1602, July, 1969.     

Electronic structures and reactivities of derivatives of 1,4-dihydropyridines. 3. Enthalpies of elementary processes in the 1,4-dihydronicotinamide series

The heat effects of the elementary processes involved in electron and hydrogen transfer with the participation of 1,4-dihydropyridines were calculated by the semiempirical MINDO/3 method. The effect of a number of side and parallel processes on the kinetic principles is discussed in the case of the oxidation of 1-methyl-1,4-dihydronicotinamide. The calculated and experimental data are compared.See [1] for Communication 2.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 63–66, January, 1988.