Articles producció científica> Química Física i Inorgànica

Mixed Dimetallic Cluster Fullerenes: ScGdO@ C3v(8)-C82 and ScGdC2@ C2v(9)-C82

  • Identification data

    Identifier: imarina:5610862
    Handle: http://hdl.handle.net/20.500.11797/imarina5610862
  • Authors:

    Yang W
    Abella L
    Wang Y
    Li X
    Gu J
    Poblet JM
    Rodríguez-Fortea A
    Chen N
  • Others:

    Author, as appears in the article.: Yang W; Abella L; Wang Y; Li X; Gu J; Poblet JM; Rodríguez-Fortea A; Chen N
    Department: Química Física i Inorgànica
    URV's Author/s: Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
    Keywords: Transition-metal Single-molecule magnet Selective synthesis Oxide cluster Metal nitride clusterfullerenes Endohedral metallofullerenes Electron-spin Crystallographic characterization Chemical insight Carbide metallofullerenes
    Abstract: © 2018 American Chemical Society. Mixed-metal cluster fullerenes have been extensively studied in recent years for their rich structural variability of the encaged clusters and have shown great potential in applied studies such as biomedicine and molecular electronic devices. However, the studies in this field have mostly concentrated on the nitride cluster fullerene, and very few other types of mixed-metal cluster fullerenes have been reported so far. Herein, we report the synthesis and isolation of the first mixed-metal oxide cluster fullerene, ScGdO@C82, and a novel mixed dimetallic carbide cluster fullerene, ScGdC2@C82. Spectroscopic and electrochemical studies combined with density functional theory (DFT) calculations assigned the molecular structure of the two cluster fullerenes (CFs) to ScGdO@C3v(8)-C82 and ScGdC2@C2v(9)-C82, respectively. DFT calculations also suggested that these two mixed-metal clusters are likely to be found in any of the three isolated pentagon rule Cs(6)-C82, C3v(8)-C82 and/or C2v(9)-C82 cages. The electrochemical studies show that the electrochemical gap of ScGdO@C3v(8)-C82 and ScGdC2@C2v(9)-C82 are 1.49 and 1.08 V. Moreover, comparative studies of ScGdO@C3v(8)-C82 and Sc2O@C3v(8)-C82, ScGdC2@C2v(9)-C82 and Sc2C2@C2v(9)-C82 showed that, despite their close structural resemblance, the replacement of one Sc ion by a Gd ion resulted in notable changes in their electrochemical behaviors as well as their 45Sc NMR spectra.
    Thematic Areas: Química Physical and theoretical chemistry Medicina i Materiais Interdisciplinar Inorganic chemistry General medicine Farmacia Engenharias iii Engenharias ii Engenharias i Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, inorganic & nuclear Chemistry (miscellaneous) Biotecnología Astronomia / física
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 00201669
    Author's mail: antonio.rodriguezf@urv.cat josepmaria.poblet@urv.cat
    Author identifier: 0000-0001-5884-5629 0000-0002-4533-0623
    Record's date: 2023-02-18
    Papper version: info:eu-repo/semantics/acceptedVersion
    Link to the original source: https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b01646
    Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: Inorganic Chemistry. 57 (18): 11597-11605
    APA: Yang W; Abella L; Wang Y; Li X; Gu J; Poblet JM; Rodríguez-Fortea A; Chen N (2018). Mixed Dimetallic Cluster Fullerenes: ScGdO@ C3v(8)-C82 and ScGdC2@ C2v(9)-C82. Inorganic Chemistry, 57(18), 11597-11605. DOI: 10.1021/acs.inorgchem.8b01646
    Article's DOI: 10.1021/acs.inorgchem.8b01646
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2018
    Publication Type: Journal Publications
  • Keywords:

    Chemistry (Miscellaneous),Chemistry, Inorganic & Nuclear,Inorganic Chemistry,Physical and Theoretical Chemistry
    Transition-metal
    Single-molecule magnet
    Selective synthesis
    Oxide cluster
    Metal nitride clusterfullerenes
    Endohedral metallofullerenes
    Electron-spin
    Crystallographic characterization
    Chemical insight
    Carbide metallofullerenes
    Química
    Physical and theoretical chemistry
    Medicina i
    Materiais
    Interdisciplinar
    Inorganic chemistry
    General medicine
    Farmacia
    Engenharias iii
    Engenharias ii
    Engenharias i
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências agrárias i
    Chemistry, inorganic & nuclear
    Chemistry (miscellaneous)
    Biotecnología
    Astronomia / física
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