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A molecular brake hoop for the motion of metal atoms inside fullerene cage

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Abstract

Molecular machines have attracted extensive attention due to their fancy concept and their potential to influence the science and technology. The dynamic motion of encapsulated metallic clusters is a distinctive character for endohedral metallofullerenes. For the development of molecular rotors based on metallofullerenes, the most challenging issue is how to control the motion of untouchable metallic cluster inside fullerene cage. In this work, we report a molecular brake hoop for the motion of metal atoms inside fullerene cage. A cycloparaphenylene of [12]CPP was employed to hoop the metallofullerene and produce two supramolecular complexes of Sc3N@C80⊂[12]CPP and Sc2C2@C82⊂[12]CPP. Moreover, the temperature-dependent 45Sc nuclear magnetic resonance spectroscopy (NMR) was employed to detect the motion of internal Sc3N and Sc2C2 clusters. 45Sc NMR results reveal that the [12]CPP can slow down the rotation of internal metallic cluster through host-guest interaction, and thus the [12]CPP can be considered as a molecular brake hoop for the internal metal motion of metallofullerenes. Furthermore, by means of this molecular brake hoop, the motion of metal atoms inside fullerene cage have expanded range of velocity. In addition, theoretical calculations on Sc3N@C80⊂[12]CPP were executed to illustrate the molecular orientation as well as internal Sc3N rotation. This study would promote the research of endohedral metallofullerene as a molecular rotor.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (51972309, 52022098), the Youth Innovation Promotion Association of Chinese Academy of Sciences (Y201910), and Zhejiang Provincial Natural Science Foundation of China (LR22B010001).

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Authors and Affiliations

  1. Beijing National Laboratory for Molecular Sciences, Key Laboratory of Molecular Nanostructure and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China

    Yuxi Lu, Jie Zhang, Wang Li, Jiayi Liang, Linshan Liu, Chunru Wang & Taishan Wang

  2. University of Chinese Academy of Sciences, Beijing, 100049, China

    Yuxi Lu, Jie Zhang & Wang Li

  3. School of Pharmacy, Guizhou Medical University, Guian New District, Guizhou, 550025, China

    Chong Zhao

  4. College of Material, Chemistry and Chemical Engineering, Hangzhou Normal University, Hangzhou, 311121, China

    Yongguang Li

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  1. Yuxi Lu
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  2. Chong Zhao
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  3. Jie Zhang
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  4. Wang Li
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  5. Jiayi Liang
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  7. Yongguang Li
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  8. Chunru Wang
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  9. Taishan Wang
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Correspondence to Taishan Wang.

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Supporting information The supporting information is available online at http://chem.scichina.com and http://link.springer.com/journal/11426. The supporting materials are published as submitted, without typesetting or editing. The responsibility for scientific accuracy and content remains entirely with the authors.

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Lu, Y., Zhao, C., Zhang, J. et al. A molecular brake hoop for the motion of metal atoms inside fullerene cage. Sci. China Chem. 65, 1601–1606 (2022). https://doi.org/10.1007/s11426-022-1302-9

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  • DOI: https://doi.org/10.1007/s11426-022-1302-9

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