Journal
INORGANIC CHEMISTRY
Volume 60, Issue 15, Pages 11496-11502Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.1c01496
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Funding
- National Science Foundation China [NSFC 91961109, 51302178, 51772195]
- Natural Science Foundation of Jiangsu Province [BK20200041]
- Spanish Ministry of Science [CTQ2017-87269-P]
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This study successfully synthesized, isolated, and characterized two novel isomers of Th@C-82, identifying their molecular structures and stable electronic properties through various experimental methods.
Actinide endohedral fullerenes have demonstrated remarkably different physicochemical properties compared to their lanthanide analogues. In this work, two novel isomers of Th@C-82 were successfully synthesized, isolated, and fully characterized by mass spectrometry, X-ray single crystallography, UV-vis-NIR spectroscopy, Raman spectroscopy, and cyclic voltammetry. The molecular structures of the two isomers were determined unambiguously as Th@C-2v(9)-C-82 and Th@C-2(5)-C-82 by single-crystal X-ray diffraction analysis. Raman and UV-vis-NIR spectroscopies further confirm the assignment of the cage isomers. Electrochemical gaps suggest that both Th@C-2v(9)-C-82 and Th@ C-2(5)-C-82 possess a stable closed-shell electronic structure. The computational results further confirm that Th@C-2v(9)-C-82 and Th@ C-2(5)-C-82 exhibit a unique four-electron charge transfer from the metal to the carbon cage and are among the most abundant isomers of Th@C-82.
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