BOND-ENERGIES IN ORGANOFLUORINE SYSTEMS - APPLICATIONS TO TEFLON(R) AND FULLERENES

Computational chemistry methods have been used to calculate bond energies in organofluorine compounds. The bond strengths in models of Teflon(R) have been calculated by using ab initio molecular orbital theory. The C-F bond strengths fall in the expected ranges. The C-C bond strengths are much higher than those in the corresponding hydrocarbon model. The C-F bond strengths in the C60F, C60FZ and C70F were calculated at the non-local density functional theory level. These bond strengths are much weaker than those in saturated organofluorine compounds.