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Blending Non‐Group‐3 Transition Metal and Rare‐Earth Metal into a C80 Fullerene Cage with D5h Symmetry
Authors:Dr Tao Wei  Fei Jin  Runnan Guan  Prof Dr Jing Huang  Dr Muqing Chen  Prof Dr Qunxiang Li  Prof Dr Shangfeng Yang
Affiliation:1. Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, China;2. School of Materials and Chemical Engineering, Anhui Jianzhu University, Hefei, Anhui, China;3. Hefei National Laboratory for Physical Sciences at Microscale, Department of Chemical Physics, Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, China
Abstract:Rare‐earth metals have been mostly entrapped into fullerene cages to form endohedral clusterfullerenes, whereas non‐Group‐3 transition metals that can form clusterfullerenes are limited to titanium (Ti) and vanadium (V), and both are exclusively entrapped within an Ih‐C80 cage. Non‐Group‐3 transition‐metal‐containing endohedral fullerenes based on a C80 cage with D5h symmetry, VxSc3?xN@D5h‐C80 (x=1, 2), have now been synthesized, which exhibit two variable cluster compositions. The molecular structure of VSc2N@D5h‐C80 was unambiguously determined by X‐ray crystallography. According to a comparative study with the reported Ti‐ and V‐containing clusterfullerenes based on a Ih‐C80 cage and the analogous D5h‐C80‐based metal nitride clusterfullerenes containing rare‐earth metals only, the decisive role of the non‐Group‐3 transition metal on the formation of the corresponding D5h‐C80‐based clusterfullerenes is unraveled.
Keywords:endohedral fullerenes  metal nitrides  vanadium  transition metals  X-ray crystallography
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