THE ENERGETICS OF FLUORINATED SPECIES - ESTIMATION, ENTHALPIES OF FORMATION, AND ELECTRONEGATIVITY

The literature estimation approach of assuming a near zero difference of he enthalpies of formation of condensed phase fluoro and hydroxy co mpounds (YF and YOH) is discussed. Reasoning based on phase change ent halpies, substituent effects, and our AM1 calculations reported here, show that the difference depends strongly on the electronegativity of the element Y with comparatively little effect on its local environmen t. The assumption of a near constant difference of enthalpies of forma tion of organic fluorine compounds and their oxygen analogs is legitim ized. Related, but admittedly more preliminary, regularities for the e nthalpies of fluorinated species are also presented.