Synthesis and Characterization of Two Isomers of Th@C82: Th@C2v(9)-C82 and Th@C2(5)-C82
Qingyu Meng1⊥, Roser Morales-Martínez2⊥, Jiaxin Zhuang1⊥, Yang-Rong Yao3, Yaofeng Wang1, Lai Feng4*（冯莱）, Josep M. Poblet2, Antonio Rodríguez-Fortea2*, and Ning Chen1*（谌宁）
1 College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu 215123, P. R. China.
2 Department de Química Física iInorgànica, Universitat Rovira i Virgili, 43007 Tarragona, Spain
3 Department of Chemistry, University of Texas at El Paso, El Paso, Texas 79968, United States
4 College of Energy, Soochow Institute for Energy and Materials Innovations & Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu Province, Soochow University, Suzhou 215006, P.R.
⊥Q.M., R.M.-M., and J.Z. contributed equally.
Inorg. Chem. 2021, 60, 11496--11502
Actinide endohedral fullerenes have demonstrated remarkably different physicochemical properties compared to their lanthanide analogues. In this work, two novel isomers of Th@C82 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@C2v(9)-C82 and Th@C2(5)-C82 by singlecrystal X-ray diffraction analysis. Raman and UV−vis−NIR spectroscopies further confirm the assignment of the cage isomers. Electrochemical gaps suggest that both Th@C2v(9)-C82 and Th@ C2(5)-C82 possess a stable closed-shell electronic structure. The computational results further confirm that Th@C2v(9)-C82 and Th@ C2(5)-C82 exhibit a unique four-electron charge transfer from the metal to the carbon cage and are among the most abundant isomers of Th@C82.
链接：https://pubs.acs.org/doi/10.1021/acs.inorgchem.1c01496