Articles producció científica> Química Física i Inorgànica

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

  • Dades identificatives

    Identificador: imarina:9230630
    Autors:
    Li, YanbangEmge, Thomas JMoreno-Vicente, AntonioKopcha, William PSun, YueMansoor, Iram FLipke, Mark CHall, Gene SPoblet, Josep MRodriguez-Fortea, AntonioZhang, Jianyuan
    Resum:
    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.
  • Altres:

    Autor segons l'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
    Departament: Química Física i Inorgànica
    Autor/s de la URV: Moreno Vicente, Antonio / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
    Paraules clau: 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
    Resum: 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.
    Àrees temàtiques: 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
    Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
    Adreça de correu electrònic de l'autor: josepmaria.poblet@urv.cat antonio.rodriguezf@urv.cat
    Identificador de l'autor: 0000-0002-4533-0623 0000-0001-5884-5629
    Data d'alta del registre: 2024-10-12
    Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
    Enllaç font original: https://onlinelibrary.wiley.com/doi/10.1002/anie.202110881
    URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referència a l'article segons font original: Angewandte Chemie (International Ed. Print). 60 (48): 25269-25273
    Referència de l'ítem segons les normes 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
    DOI de l'article: 10.1002/anie.202110881
    Entitat: Universitat Rovira i Virgili
    Any de publicació de la revista: 2021
    Tipus de publicació: Journal Publications
  • Paraules clau:

    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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