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The Extended View on the Empty C 2 (3)‐C 82 Fullerene: Isolation, Spectroscopic, Electrochemical, and Spectroelectrochemical Characterization and DFT Calculations
Author(s) -
Zalibera Michal,
Popov Alexey A.,
Kalbac Martin,
Rapta Peter,
Dunsch Lothar
Publication year - 2008
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200800591
Subject(s) - fullerene , electrochemistry , cyclic voltammetry , chemistry , spectroscopy , infrared , infrared spectroscopy , analytical chemistry (journal) , electrode , organic chemistry , physics , quantum mechanics , optics
Abstract An extended study of the spectroscopic and redox properties of the C 82 fullerene is presented. Among the nine isolated‐pentagon‐rule (IPR) isomers of the C 82 fullerene the C 82 (3) isomer with C 2 symmetry is the only stable, empty fullerene structure formed in the arc burning process that can be isolated in an isomerically pure form. Here, its formation and isolation are described and its structure is confirmed by experimental spectroscopic studies as well as time‐dependent DFT calculations. The electrochemistry of the C 82 (3) isomer is studied in detail by cyclic voltammetry and spectroelectrochemistry. The anionic species of C 82 with the charge ranging from C 82 − to C 82 4− were successively generated in o ‐dichlorobenzene solution at room temperature and characterized by in situ ESR and visible/near‐infrared (Vis/NIR) spectroscopy. The data give new insights into the charged states of the C 82 (3) fullerene.