ABSTRACT
I. INTRODUCTION Speculation that fluorination of Buckminsterfullerene might give rise to C60F60, a spherical molecular ballbearing-like analog of Teflon, with superior lubrication properties, came soon after the soccer-ball-shaped C60 molecule was discovered. The preparation of such a species was of importance not only because of po tential widespread application, but also because it would provide a means of resolving inconclusive theoretical predictions as to whether C60F60 is stable. Ab initio calculations at the Hartree-Fock level employing a Hartree double-zeta plus polarization (DZP) method [1] predicts that C60F60 should be obtainable in the laboratory. Similar independent calculations, however, have led to the con clusion that the perfluoro [6] fullerene “ may not be easily isolable” [2]. Both calculations show large steric repulsions between the fluorine atoms, which lengthen the C-C bond to an unprecedented 1.627 A. Subsequent work has shown that twisting the carbon skeleton may partially relieve the steric strain while retaining / symmetry [3]. A separate study has employed density function methods to predict stability for C60F60 but with a bond strength for the C-F bond that is 15% smaller than that in CF4 [4].
