Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 108, Issue 52, Pages 11733-11739Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp046318l
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The particular stability of recently synthesized C50Cl10 cage is discussed by means of its topology: the underlying C-50 cage consists of two corannulene frameworks which are connected by five C-2 units. C50X10 is another lower fullerene which has not been found experimentally in its bare form. Oligomerization and polymerization of C-50 and C50Hx are investigated. A minimum energy pathway to a D-5h(C-50)(6)H-40 structure is found. C-50 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.
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