Methyl-andtert-butyl-substituted hydroquinones and semiquinone radicals: Bond strength estimates, enthalpy of formation, and the rate constants of their reactions with peroxy radicals

CH bond dissociation enthalpies of fluor

CH bond dissociation enthalpies of fluorinated formates and estimation of their rate constants for the reactions with OH radicals: A DFT study

✍ Shingo Urata; Tadafumi Uchimaru; Asit K. Chandra; Akira Takada; Akira Sekiya 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB 👁 1 views

## Abstract Density functional theory was used to estimate the lifetime of fluorinated formates, which are primary products from the oxidation of hydrofluoroethers. First, the CH bond dissociation enthalpies (BDEs) of 10 fluorinated formates, C~__n__~F~2__n__ + 1~OC(O)H (__n__ = 1–4) and C~__n__~H