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Correlations between F NMR chemical shifts and bond dissociation energies, enthalpies of formation and group electronegativities |
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| Authors: | C. J. Cobos A. L. Capparelli |
| Affiliation: | Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Casilla de Correo 16, Sucursal 4, 1900, La Plata, Argentina |
| Abstract: | Correlations between 19F NMR chemical shifts (Φ) in fluorohalohydrocarbons and enthalpies of formation, bond dissociation energies, group contribution to enthalpies of formation and enthalpies of formation of free radicals are presented. A good correlation between these properties has been found with the square root of Φ. A relationship between fluorine chemical shifts and group electronegativities is also discussed. |
| Keywords: | Chemical shifts Bond dissociation energies Enthalpies of formation Group electronegativities Fluorohalohydrocarbons NMR spectroscopy |
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