New Isolated-Pentagon-Rule Isomer of C-92 Isolated as Trifluoromethyl and Chlorido Derivatives: C-92(38)(CF3)(14/16) and C-92(38)Cl-20/22

摘要

High-temperature trifluoromethylation and chlorination of the C-92 fraction followed by single-crystal X-ray diffraction with the use of synchrotron radiation resulted in the structure determination of C-92(38)(CF3)(14), five isomers of C-92(38)(CF3)(16), and C-92(38)Cl-20/22. Their addition patterns are stabilized by the formation of isolated C=C bonds and aromatic substructures. According to quantum-chemical calculations, the newly detected C-1-C-92(38) belongs to the most stable isomers of C-92 .