Articles producció científica> Química Física i Inorgànica

Unexpected Formation of Metallofulleroids from Multicomponent Reactions, with Crystallographic and Computational Studies of the Cluster Motion

  • Identification data

    Identifier: imarina:9230630
    Authors:
    Li, YanbangEmge, Thomas JMoreno-Vicente, AntonioKopcha, William PSun, YueMansoor, Iram FLipke, Mark CHall, Gene SPoblet, Josep MRodriguez-Fortea, AntonioZhang, Jianyuan
    Abstract:
    New multicomponent reactions involving an isocyanide, terminal or internal alkynes, and endohedral metallofullerene (EMF) Lu3N@C80 yield metallofulleroids which are characterized by mass-spectrometry, HPLC, and multiple 1D and 2D NMR techniques. Single crystal studies revealed one ketenimine metallofulleroid has ordered Lu3N cluster which is unusual for EMF monoadducts. Computational analysis, based on crystallographic data, confirm that the endohedral cluster motion is controlled by the position of the exohedral organic appendants. Our findings provide a new functionalization reaction for EMFs, and a potential facile approach to freeze the endohedral cluster motion at relatively high temperatures.
  • Others:

    Author, as appears in the article.: Li, Yanbang; Emge, Thomas J; Moreno-Vicente, Antonio; Kopcha, William P; Sun, Yue; Mansoor, Iram F; Lipke, Mark C; Hall, Gene S; Poblet, Josep M; Rodriguez-Fortea, Antonio; Zhang, Jianyuan
    Department: Química Física i Inorgànica
    URV's Author/s: Moreno Vicente, Antonio / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
    Keywords: Multicomponent reaction Isocyanide-based multicomponent Fullerenes Endohedral Density functional calculations Cluster motion sc3n-at-c-80 reactivity multicomponent reaction functionalization fullerenes fullerene derivatives bearing endohedral metallofullerenes endohedral efficient density functional calculations chemistry bingel-hirsch addition acid
    Abstract: New multicomponent reactions involving an isocyanide, terminal or internal alkynes, and endohedral metallofullerene (EMF) Lu3N@C80 yield metallofulleroids which are characterized by mass-spectrometry, HPLC, and multiple 1D and 2D NMR techniques. Single crystal studies revealed one ketenimine metallofulleroid has ordered Lu3N cluster which is unusual for EMF monoadducts. Computational analysis, based on crystallographic data, confirm that the endohedral cluster motion is controlled by the position of the exohedral organic appendants. Our findings provide a new functionalization reaction for EMFs, and a potential facile approach to freeze the endohedral cluster motion at relatively high temperatures.
    Thematic Areas: Química Medicina ii Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Astronomia / física
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Author's mail: josepmaria.poblet@urv.cat antonio.rodriguezf@urv.cat
    Author identifier: 0000-0002-4533-0623 0000-0001-5884-5629
    Record's date: 2024-10-12
    Papper version: info:eu-repo/semantics/publishedVersion
    Link to the original source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202110881
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: Angewandte Chemie (International Ed. Print). 60 (48): 25269-25273
    APA: Li, Yanbang; Emge, Thomas J; Moreno-Vicente, Antonio; Kopcha, William P; Sun, Yue; Mansoor, Iram F; Lipke, Mark C; Hall, Gene S; Poblet, Josep M; Rodr (2021). Unexpected Formation of Metallofulleroids from Multicomponent Reactions, with Crystallographic and Computational Studies of the Cluster Motion. Angewandte Chemie (International Ed. Print), 60(48), 25269-25273. DOI: 10.1002/anie.202110881
    Article's DOI: 10.1002/anie.202110881
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2021
    Publication Type: Journal Publications
  • Keywords:

    Catalysis,Chemistry,Chemistry (Miscellaneous),Chemistry, Multidisciplinary
    Multicomponent reaction
    Isocyanide-based multicomponent
    Fullerenes
    Endohedral
    Density functional calculations
    Cluster motion
    sc3n-at-c-80
    reactivity
    multicomponent reaction
    functionalization
    fullerenes
    fullerene derivatives bearing
    endohedral metallofullerenes
    endohedral
    efficient
    density functional calculations
    chemistry
    bingel-hirsch addition
    acid
    Química
    Medicina ii
    Medicina i
    Materiais
    Interdisciplinar
    General medicine
    General chemistry
    Farmacia
    Engenharias ii
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Chemistry
    Catalysis
    Astronomia / física
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