THE FLIPPING OF CORANNULENE C20H10 THROUGH SURFACE TRANSFORMATIONS AND THE STABILITY OF C-20 ISOMERS

The inversion of corannulene C20H10 has been studied using two geometr ic transformations and the Monte Carlo method. The transformations exp lain the possible energetic states followed by the molecule during its flattening. It is found that the inversion of corannulene is probabil istic when the flat state has been reached. The stability of C-20 (cag e), corannulene-like, ring of 20 atoms and a negatively curved segment with 20 atoms is discussed. We find that the corannulene-like arrange ment is the most stable. This has important implications in the format ion of C-60 and other fullerenes.