ON ETA(5)-PI-COMPLEXES OF C-70 AND SOME OF ITS CYCLOPENTADIENYL DERIVATIVES WITH LI ATOMS - MNDO SIMULATION

The molecular and electronic structure of hypothetical eta(5)-complexe s of C-70 and its cyclopentadienyl derivatives such as C70R5, C70R10 a nd C60X10 (R = H, Cl, Br; X = B, N, Al, P) with Li are discussed. It w as proposed that atoms R were attached to the a-positions of one (two) polar pentagon(s) of prolated shape fullerene (D-5h)-C-70, and atoms X substituted atoms C in same sites. It was established that the compl exes under consideration were more stable systems in comparison with u nsubstituted C-70. The MNDO method was used. The results obtained are generalizing theoretical studies of electron stucture of similar compl exes of fullerene C-60 and its derivatives such as C60R5 and C55X5.