Structural Chemistry of Pentagon-Fused C 82 Fullerene Derivatives #39173 C 82 (CF 3 ) 14,16,18 and #39173 C 82 Cl 28 .

Autor: Brotsman VA; Chemistry Department, Moscow State University, Leninskie gory, 119991Moscow, Russia., Tamm NB; Chemistry Department, Moscow State University, Leninskie gory, 119991Moscow, Russia., Troyanov SI; Chemistry Department, Moscow State University, Leninskie gory, 119991Moscow, Russia.
Jazyk: angličtina
Zdroj: Inorganic chemistry [Inorg Chem] 2023 Feb 06; Vol. 62 (5), pp. 2425-2429. Date of Electronic Publication: 2023 Jan 20.
DOI: 10.1021/acs.inorgchem.2c04259
Abstrakt: High-temperature chlorination of the most stable Isolated-Pentagon-Rule (IPR) isomer of fullerene C 82 , C 2 -C 82 (3), invariably produces non-IPR #39173 C 82 Cl 28 , containing one pentagon-pentagon fusion in the carbon cage. High-temperature trifluoromethylation of #39173 C 82 Cl 28 followed by HPLC separation resulted in the isolation and structure elucidation of eight #39173 C 82 (CF 3 ) n ( n = 14, 16, 18) compounds. Structural chemistry of #39173 C 82 (CF 3 ) 14,16,18 and #39173 C 82 Cl 28 is characterized by the variation of the addition patterns in the region of a pentagon-pentagon fusion. The regiochemistry of CF 3 addition in the remaining cage region is similar to that of the known IPR C 82 (3)(CF 3 ) n compounds. Theoretical calculations revealed that #39173 C 82 (CF 3 ) n possess lower thermodynamic stability than isomeric IPR derivatives.
Databáze: MEDLINE