Articles producció científica> Química Física i Inorgànica

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

  • Datos identificativos

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

    Autor según el artículo: 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
    Departamento: Química Física i Inorgànica
    Autor/es de la URV: Moreno Vicente, Antonio / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
    Palabras clave: 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
    Resumen: 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.
    Áreas temáticas: 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
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: josepmaria.poblet@urv.cat antonio.rodriguezf@urv.cat
    Identificador del autor: 0000-0002-4533-0623 0000-0001-5884-5629
    Fecha de alta del registro: 2024-10-12
    Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
    Enlace a la fuente original: https://onlinelibrary.wiley.com/doi/10.1002/anie.202110881
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Angewandte Chemie (International Ed. Print). 60 (48): 25269-25273
    Referencia 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 del artículo: 10.1002/anie.202110881
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2021
    Tipo de publicación: Journal Publications
  • Palabras clave:

    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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