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Studies on the Luminescence Property of Yttrium-Based metallofullerenes

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Chinese Journal of Structural Chemistry 2022年第9期41卷 1-7页

作者： Jiayi Liang Chunru Wang Taishan Wang Beijing National Laboratory for Molecular Sciences Key Laboratory of Molecular Nanostructure and NanotechnologyInstitute of ChemistryChinese Academy of SciencesBejing 100190China

Endohedral metallofullerenes(EMFs) exhibit various properties due to their multiple combinations between internal metals and outer carbon cages. Among them, yttrium-based metallofullerenes have attracted much attention due to their luminescence properties. For example,YN@Cis distinguished by its photoluminescence(PL) properties with a small energy gap between the lowest singlet states(S) and the triplet excited states(T) in YN@C, allowing reverse intersystem crossing(RISC) of T→Sand resulting in thermally activated delayed fluorescence(TADF). In addition, the PL intensity, lifetime, and quantum yield(QY) of YN@Call depend on the molecular structure and surrounding environment. Typically, modulation of the PL properties can be achieved by replacing the yttrium metal inside the carbon cage as well as by modifying the carbon cage ***, we focus on the luminescence properties of yttrium-based metallofullerenes, summarize recent research advances, and predict their future development.

关键词： metallofullerenes yttrium luminescence thermally activated delayed fluorescence phosphorescence

Intensity Exaggeration of Endohedral metallofullerenes in Laser Desorption-Ionization Time-of-Flight Mass Spectrometry

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Chinese Chemical Letters 1998年第8期9卷 761-764页

作者： Da Yong SUN Wen Guo XU and Shu Ying LIU(The No. 9 Laboratory, Changchun Institute of Applied Chemistry,Chinese Academy of Sciences, Changchun 130022) No. 9 Laboratory Changchun Inst. of Applied Chemistry Chinese Academy of Sciences Changchun 13022 China

The laser-desorption-ionization time-of-flight mass spectrometry and desorption-electron-ionization mass spectrometry were employed for the characterization of metallofullerenes extract. it was found that the relative intensities of metallofullerenes in this positive-ion, negative-ion LD-TOF MS and DEI MS were much different. This phenomenon should have relationship with the peculiar ionization energies and electron affinities of metallofullerenes.

关键词： metallofullerenes LD-TOF MS

Studies on extracting solutions of endohedral rare-earth metallofullerenes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

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Science China Chemistry 1997年第6期40卷 590-599页

作者：孙大勇刘志强刘子阳郭兴华徐文国刘淑莹 The Key Laboratory of Applied Spectroscopy Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

Thirteen extracting solutions of rare-earth metallofullerenes containing La,Ce,Pr,Nd Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm and Yb respectively have been investigated by means of matrix-assisted laser desorpuon/ ionization time-of-flight mass *** influences of the positive-ion/negative-ion mode,laser intensity,ma trix and mass discrimination to the analytical results are studied,based on which the optimal analytical conditions have been *** results show that the extracting solutions contain large quantities of rare-earth metallofullerenes besides empty *** the basis of comparing their relative intensities,the different structure stabilities and solubilities of metallofullerenes with different rare-earth metals encapsulated into the fullerene cages,as well as some possible reasons to those differences,are discussed.

关键词： metallofullerenes fullerenes laser desorption/ionization time-of-flight mass spectrometry

Formation of substitutional metallofullerenes by laser ablation of externally doped fullerenes C_(60)M_x(M=Sm,Pt,Ni and Rh)

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Chinese Science Bulletin 2002年第4期47卷 284-291页

作者： KONG Qingyu, SHEN Yifeng, ZHUANG Jun, ZHAO Li, QIAN Shixiong, LI Yufen, LI Xu, LIN Yanghui & CAI RuifangDepartment of Physics, Fudan University, Shanghai 200433, China State Key Joint Laboratory for Materials Modification by Laser, Ion and Electro Department of Physics Fudan University Shanghai China State Key Joint Laboratory for Materials Modification by Laser Ion and Electron Beams Fudan University Shanghai China Department of Chemistry Fudan University Shanghai China

Photofragmentation study of metal fullerides C60Mx (M=Sm, Pt, Ni and Rh) by excimer laser ablation-TOF mass spectrometry shows that metallofullerenes C2nM and C2n+1M formed in both the positive and negative ionic modes. The isotopic distributions of the metallofullerenes C2nM and C2n+1M are consistent with the calculated spectra based on the natural abundance of isotopes of C and M, confirming the formation of metallofullerenes. The metal atom is sup-posed to be incorporated into the network of the fullerene cage to replace one carbon atom of the cage forming substi-tutional metallofullerene. Odd-numbered high carbon clusters are observed in our laser ablation study of all the metal fullerides in the negative ion channel. Evolution of mass spectrum with irradiation laser shots shows that the formation of the substitutionally doped fullerenes is closely related to the production of metal carbide (MC). The structures, as well as formation mechanism, of metallofullerenes C2n+1M and C2nM with even and odd

关键词： TOF-MS laser ablation substitutional metallofullerenes odd-numbered high carbon clusters.

Identification of the Most Stable Sc2C80 Isomers： Structure, Electronic Property, and Molecular Spectra Investigations

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Chinese Journal of Chemistry 2012年第4期30卷 765-770页

作者：吴静怡王太山舒春英吕鑫王春儒 Key Laboratory of Molecular Nanostructure and Nanotechnology Beijing National Laboratory for Molecular SciencesInstitute of ChemistryChinese Academy of Sciences(CAS)Beijing 100190China State Key Laboratory of Physical Chemistry of Solid Surfaces&Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry College of Chemistry&Chemical EngineeringXiamen UniversityXiamenFujian 361005China

A systematic density functional theory investigation has been carried out to explore the possible structures of Sc2C80 at the BMK/6-31 G（d） level. The results clearly show that Sc2@C80-Ih, Sc2@Cso-Dsh, and Sc2C2@C78-C2v can be identified as three isomers of Sc2C80 metallofullerene with the lowest energy. Frontier molecular orbital analysis indicates that the two Sc2@C80 isomers have a charge state as （Sc〉）2@ C60 and the Sc2C2@C78 has a charge state of （Sc3＋）2 C22- @ C784-. Moreover, the metal-cage covalent interactions have been studied to reveal the dynamics of endohedral moiety. The vertical electron affinity, vertical ionization potential, infrared spectra and 13C nuclear mag- netic resonance spectra have been also computed to further disclose the molecular structures and properties.

关键词： metallofullerenes density functional theory relative energy HOMO-LUMO gap

Electronic structure and fluorescent property of endohedral terbium fullerenes

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Chinese Science Bulletin 1997年第21期42卷 1798-1802页

作者： Sun, DY Liu, ZY Guo, XH Xu, WG Liu, SY Chinese Acad Sci Changchun Inst Appl Chem State Key Lab Appl Chem Changchun 130022 Peoples R China

ENDOHEDRAL metallofullerencs is the important part of modern fullerene science *** the first determination of La@C2n, in laser mass spectrometry till now, great progresshas been made in this field. Varieties of endohedral metallofullerenes have been synthesizedby using arc evaporation method. The subsequent purification, characterization and derivatiza-

关键词： metallofullerenes terbium XPS fluorescent spectroscopy.