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

作     者：Yuxi Lu Chong Zhao Jie Zhang Wang Li Jiayi Liang Linshan Liu Yongguang Li Chunru Wang Taishan Wang 

作者机构：Beijing National Laboratory for Molecular SciencesKey Laboratory of Molecular Nanostructure and NanotechnologyInstitute of ChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of SciencesBeijing 100049China School of PharmacyGuizhou Medical UniversityGuian New District 550025China College of MaterialChemistry and Chemical EngineeringHangzhou Normal UniversityHangzhou 311121China 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2022年第65卷第8期

页      面：1601-1606页

核心收录：

学科分类：07[理学] 070304[理学-物理化学(含∶化学物理)] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China(51972309,52022098) the Youth Innovation Promotion Association of Chinese Academy of Sciences(Y201910) Zhejiang Provincial Natural Science Foundation of China(LR22B010001)。 

主　　题：metallofullerene molecular rotor molecular brake supramolecular complex dynamic motion 

摘      要：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 Sc_(3)N@C_(80)⊂[12]CPP and Sc_(2)C_(2)@C_(82)⊂[12]CPP.Moreover,the temperature-dependent ^(45)Sc nuclear magnetic resonance spectroscopy(NMR)was employed to detect the motion of internal Sc_(3)N and Sc_(2)C_(2) clusters.^(45)Sc 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 Sc_(3)N@C_(80)⊂[12]CPP were executed to illustrate the molecular orientation as well as internal Sc_(3)N rotation.This study would promote the research of endohedral metallofullerene as a molecular rotor.