Абстрактный

Enthalpy and Bond Dissociation Energy Values for Tri-, Tetra-, and Penta-Fluorinated Ethanol’s and its Radicals: CH₃−xFxCH₂OH, CH₃CH₂−xFxOH, CH₃-xFxCH₂−xFxOH using Gaussian M-062x/6-31+g (d,p) Method at Standard Conditions

Hebah M Abdel-Wahab*, Joseph W Bozzelli

Structures and thermochemical properties of Tri-, Tetra-, and Penta-Fluorinated Ethanol’s and its Radicals were determined by the Gaussian M-062 x/6-31+g (d,p) calculation : Enthalpies of formation for 18 fluorinated ethanol and some radicals were calculated with a popular ab initio and density functional theory methods: the Gaussian M-062 x/6-31+g (d,p) via several series of isodesmic reactions. Bond dissociation energies for these fluorinated ethanol’s and its radicals were also calculated.