The positional effect of dodecagonal holes on C-56 structure

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.676, pp.29-33, 2004 (SCI-Expanded) identifier identifier


Some C-56 isomers obtained theoretically from C-60 structure by deleting two C-2 units and bonds adjacent to those have been subjected to AM1 (UHF) type semiempirical quantum chemical calculations. Positional effects of dodecagonal (cyclododecahexaene rings) holes on the stabilities are discussed in the case of neutral as well as monovalent cationic form of these species which are all stable but endothermic in nature. (C) 2004 Elsevier B.V. All rights reserved.