title: New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.
abstract: High-temperature trifluoromethylation and chlorination of the C92 fraction followed by single-crystal X-ray diffraction with the use of synchrotron radiation resulted in the structure determination of C92(38)(CF3)14, five isomers of C92(38)(CF3)16, and C92(38)Cl20/22. Their addition patterns are stabilized by the formation of isolated C═C bonds and aromatic substructures. According to quantum-chemical calculations, the newly detected C1-C92(38) belongs to the most stable isomers of C92.
authors.affiliation: Chemistry Department, Moscow State University , Leninskie Gory, 119991 Moscow, Russia.
authors.forename: Nadezhda B
authors.initials: NB
authors.lastname: Tamm
authors.affiliation: Chemistry Department, Moscow State University , Leninskie Gory, 119991 Moscow, Russia.
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Troyanov