Rehybridization and π-orbital alignment: the key to the existence of spheroidal carbon clusters

Abstract

The rehybridization and bonding in large carbon spheroids (C n ) has been analyzed with POAV/3D HMO theory; larger clusters are shown to be favored, and the (lower) critical value of n for stable clusters is discussed. In the generic series of truncated icosahedral spheroids of I h symmetry, C 240 is found to be significantly more stable than its lower homologue C 60.