EXOHEDRAL AND ENDOHEDRAL COMPLEXATION ENERGIES OF COMPLEXES X-AT-C-70BETWEEN HIGHER FULLERENE AND RARE-GAS ATOMS (X = HE, NE, AR, KR, XE)

The atom-atom potential method has been used to calculate the interact ion between C-70 and the rare-gas atoms. Previous reports on these sys tems by Pang and Brisse are revised [J. Phys. Chem., 97 (1993) 8562]. All exohedral complexes of X@C-70 (X = He, Ne, Ar, Kr, Xe) above the 6 -ring toward the minor axis are more stable than those above the 5-rin g toward the major axis. Furthermore, all endohedral complexes of C-70 are more stable than the corresponding exohedral complexes. The endoh edral complex of Kr@C-70 is the most stable complex of the X@C-70 syst em. (C) 1998 Elsevier Science S.A. All rights reserved.