Thermal Interchanges in the Relative Stabilities of the C 60 Ge Specles

Abstract Bridging a Ge atom across the two C‐C bonds in C 60 was treated according to the PM3 method. The C 2v (6/6) closed isomer represents the ground state of the system, located 52 kJ/mol below the C 5 (5/6) closed structure and 97 kJ/mol below the C 5 (5/6) open structure. However, at high temperatures the closed 5/6 isomer becomes the most stable, whereas the ground‐state structure is the least populated component under conditions of thermodynamic equilibrium, although no isomer is negligible. The applicable characteristics indicate a reasonable absolute stability of the whole system.