The particular stability of recently synthesized C50Cl 10 cage is discussed by means of its topology: the underlying C 50 cage consists of two corannulene frameworks which are connected by five C2 units. C50X10 is another lower fullerene which has not been found experimentally in its bare form. Oligomerization and polymerization of C50 and C50H x are investigated. A minimum energy pathway to a D5h (C50)6H40 structure is found. C50 is a candidate structure to form oligomers and fullerides. The preferred bridging positions and the 5-fold symmetry suggest the formation of irregular polymers and oligomers.
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry