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

Computational chemistry methods have been used to calculate bond energ ies in organofluorine compounds. The bond strengths in models of Teflo n(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 stre ngths are much higher than those in the corresponding hydrocarbon mode l. 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.