ScY@C3v(8)-C82: Metal-Metal σ2 Bond in Mixed Rare-Earth Di-metallofullerenes†
Lihao Zheng
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
Lihao Zheng and Yannick Roselló contributed equally.
Search for more papers by this authorYannick Roselló
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007, Tarragona, Spain
Lihao Zheng and Yannick Roselló contributed equally.
Search for more papers by this authorYingjing Yan
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
Search for more papers by this authorYang-Rong Yao
Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei, Anhui, 230026 China
Search for more papers by this authorXiaolin Fan
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
Search for more papers by this authorJosep M. Poblet
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007, Tarragona, Spain
Search for more papers by this authorCorresponding Author
Antonio Rodríguez-Fortea
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007, Tarragona, Spain
E-mail: [email protected]; [email protected]Search for more papers by this authorCorresponding Author
Ning Chen
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
E-mail: [email protected]; [email protected]Search for more papers by this authorLihao Zheng
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
Lihao Zheng and Yannick Roselló contributed equally.
Search for more papers by this authorYannick Roselló
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007, Tarragona, Spain
Lihao Zheng and Yannick Roselló contributed equally.
Search for more papers by this authorYingjing Yan
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
Search for more papers by this authorYang-Rong Yao
Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei, Anhui, 230026 China
Search for more papers by this authorXiaolin Fan
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
Search for more papers by this authorJosep M. Poblet
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007, Tarragona, Spain
Search for more papers by this authorCorresponding Author
Antonio Rodríguez-Fortea
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007, Tarragona, Spain
E-mail: [email protected]; [email protected]Search for more papers by this authorCorresponding Author
Ning Chen
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu, 215123 China
E-mail: [email protected]; [email protected]Search for more papers by this authorDedicated to the Special Issue of Recent Advances in Fullerene Chemistry.
Comprehensive Summary
The experimental investigation of rare-earth metal-metal bonds remains a challenge in the study of chemical bonds. Herein, we report the synthesis and characterization of a novel heteronuclear di-metallofullerene, ScY@C3v(8)-C82, which contains a mixed rare-earth metal-metal bond. ScY@C3v(8)-C82 was successfully synthesized by arc-discharging method and characterized by mass spectrometry, UV-vis-NIR spectroscopy and single-crystal X-ray diffraction crystallography, which unambiguously determined its molecular structure. Theoretical calculations were also performed to study the optimized positions of Sc-Y metallic dimer and the electronic configuration. The combined experimental and theoretical results confirmed that both Sc and Y atoms transfer two electrons to the C3v(8)-C82 cage, i.e., (ScY)4+@(C3v(8)-C82)4–. In particular, a covalent Sc-Y σ2 bond, which has never been reported before, is proven to be formed inside C3v(8)-C82 fullerene cage. This work presents a novel di-metallofullerene containing mixed rare-earth metal-metal bond and expands the understanding of metal-metal bonding of rare earth elements.
Supporting Information
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1 August, 2023
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