Abstract
Ab initio studies have been performed with split-valence plus diffuse and polarization basis sets extended by Møller-Plesset theory up to fourth order (including single, double, triple, and quadruple excitation) and spin annihilation on the structure and thermochemistry of the FO radical. Of particular interest, the heat of formation for the FO radical has been calculated as 27.8±1 kcal mol −1 using an isodesmic reaction scheme, which is in excellent agreement with experimental values.
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