Rotation of fullerene molecules in the crystal lattice of fullerene/porphyrin: C60 and Sc3N@C80

被引:13
作者
Hao, Yajuan [1 ,2 ]
Wang, Yaofeng [1 ]
Spree, Lukas [1 ]
Liu, Fupin [1 ]
机构
[1] Leibniz Inst Solid State & Mat Res IFW Dresden, Helmholtzstr 20, D-01069 Dresden, Germany
[2] Pingdingshan Univ, Sch Elect & Mech Engn, Pingdingshan 467000, Peoples R China
关键词
ENDOHEDRAL METALLOFULLERENES; PHASE-TRANSITION; NITRIDE;
D O I
10.1039/d0qi01101k
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The dynamics of molecules in the solid-state is important to understand their physicochemical properties. The temperature-dependent dynamics of Sc3N@C-80 and C-60 in the crystal lattice containing nickel octaethylporphyrin (NiOEP) was studied with variable temperature X-ray diffraction (VT-XRD). The results indicate that the fullerene cages (both C-60 and C-80) in the crystal lattice present stronger libration than the co-crystallized NiOEP in the temperature range of 100-280 K. In contrast to the fullerene cage, the Sc3N cluster shows pronounced rotation roughly perpendicular to the plane of the co-crystallized NiOEP molecule driven by temperature. The obtained temperature dependent dynamic behavior of the Sc3N cluster is different from that of Ho2LuN and Lu3N, regardless of their rather similar structure, indicating the effect of the mass and size of the metal ions.
引用
收藏
页码:122 / 126
页数:5
相关论文
共 33 条
  • [1] Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C60 Reveal the Intermolecular Interactions between the Component Molecules
    Chancellor, Christopher J.
    Bowles, Faye L.
    Franco, Jimmy U.
    Pham, David M.
    Rivera, Melissa
    Sarina, Evan A.
    Ghiassi, Kamran B.
    Balch, Alan L.
    Olmstead, Marilyn M.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 122 (50) : 9626 - 9636
  • [2] New Insights into the Structural Complexity of C60•2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs
    Ghiassi, Kamran B.
    Chen, Susanne Y.
    Wescott, Joseph
    Balch, Alan L.
    Olmstead, Marilyn M.
    [J]. CRYSTAL GROWTH & DESIGN, 2015, 15 (01) : 404 - 410
  • [3] Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies
    Hernandez-Eguia, Laura P.
    Escudero-Adan, Eduardo C.
    Pinzon, Julio R.
    Echegoyen, Luis
    Ballester, Pablo
    [J]. JOURNAL OF ORGANIC CHEMISTRY, 2011, 76 (09) : 3258 - 3265
  • [4] XDS
    Kabsch, Wolfgang
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2010, 66 : 125 - 132
  • [5] Molecular Structure and Magnetic and Optical Properties of Endometallonitridofullerene Sc3N@Ih-C80 in Neutral, Radical Anion, and Dimeric Anionic Forms
    Konarev, Dmitri, V
    Popov, Alexey A.
    Zorina, Leokadiya, V
    Khasanov, Salavat S.
    Lyubovskaya, Rimma N.
    [J]. CHEMISTRY-A EUROPEAN JOURNAL, 2019, 25 (65) : 14858 - 14869
  • [6] A crystalline anionic complex of scandium nitride endometallofullerene: experimental observation of single-bonded (Sc3N@/h-C80-)2 dimers
    Konarev, Dmitri V.
    Zorina, Leokadiya V.
    Khasanov, Salavat S.
    Popov, Alexey A.
    Otsuka, Akihiro
    Yamochi, Hideki
    Saito, Gunzi
    Lyubovskaya, Rimma N.
    [J]. CHEMICAL COMMUNICATIONS, 2016, 52 (71) : 10763 - 10766
  • [7] Record-high thermal barrier of the relaxation of magnetization in the nitride clusterfullerene Dy2ScN@C80-Ih
    Krylov, D. S.
    Liu, F.
    Avdoshenko, S. M.
    Spree, L.
    Weise, B.
    Waske, A.
    Wolter, A. U. B.
    Buechner, B.
    Popov, A. A.
    [J]. CHEMICAL COMMUNICATIONS, 2017, 53 (56) : 7901 - 7904
  • [8] Biomedical Applications of Metal-Encapsulated Fullerene Nanoparticles
    Li, Tinghui
    Dorn, Harry C.
    [J]. SMALL, 2017, 13 (08)
  • [9] Molecular spinning top: visualizing the dynamics of M3N@C80 with variable temperature single crystal X-ray diffraction
    Liu, Fupin
    Spree, Lukas
    [J]. CHEMICAL COMMUNICATIONS, 2019, 55 (86) : 13000 - 13003
  • [10] Single-Electron Lanthanide-Lanthanide Bonds Inside Fullerenes toward Robust Redox-Active Molecular Magnets
    Liu, Fupin
    Spree, Lukas
    Krylov, Denis S.
    Velkos, Georgios
    Avdoshenko, Stanislav M.
    Popov, Alexey A.
    [J]. ACCOUNTS OF CHEMICAL RESEARCH, 2019, 52 (10) : 2981 - 2993