Trifluoromethyl derivatives of pentagon-fused C60: 1809C60(CF3)n (n = 10, 12, 14, 16)

Autor:	Nadezhda B. Tamm, Vitaliy Yu. Markov, Sergey I. Troyanov
Rok vydání:	2021
Předmět:	Inorganic Chemistry chemistry.chemical_compound Trifluoromethyl Buckminsterfullerene chemistry Trifluoromethylation chemistry.chemical_element Cage Medicinal chemistry Carbon Structural chemistry
Zdroj:	Dalton Transactions. 50:5765-5769
ISSN:	1477-9234 1477-9226
DOI:	10.1039/d1dt00493j
Popis:	The carbon cage of buckminsterfullerene Ih-C60, obeying the Isolated-Pentagon Rule (IPR), can be transformed to the non-IPR C2v-1809C60 cage by a single Stone–Wales rearrangement (SWR) in the course of high-temperature chlorination of C60 with SbCl5. The following high-temperature trifluoromethylation of the chlorination products with CF3I afforded non-IPR CF3 derivatives, 1809C60(CF3)n. X-ray diffraction studies of 1809C60(CF3)n (n = 10, 12, 14, 16) revealed that the sites of pentagon–pentagon fusions on the carbon cage are preferentially occupied by CF3 groups. The addition patterns of 1809C60(CF3)n and related 1809C60Cln are compared, demonstrating a prevailing role of pentagon–pentagon fusions in the stability and structural chemistry of these compounds. Further SWR skeletal transformations of 1809C60 are discussed and compared with the experimental data available.
Databáze:	OpenAIRE
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