Articles producció científica> Química Física i Inorgànica

Dimerization of Endohedral Fullerene in a Superatomic Crystal

  • Identification data

    Identifier: imarina:3662229
    Authors:
    Voevodin, AnastasiaAbella, LauraCastro, EdisonPaley, Daniel WCampos, Luis MRodriguez-Fortea, AntonioPoblet, Josep MEchegoyen, LuisRoy, Xavier
    Abstract:
    We describe a solid state material created from the reaction of Ni9Te6(PEt3)8 and Lu3N@C80. The resulting superatomic crystal, [Ni12Te12(PEt3)8]2[(Lu3N@C80)2], contains dimers of Lu3N@C80 that form upon reduction of the fullerene through a single C¿C bond at the triple hexagon junctions. The encapsulated Lu3N cluster displays an unprecedented orientation that is collinear and coplanar with the intercage carbon bond. Density functional theory calculations rationalize this unique bonding and relative orientation of the Lu3N clusters. Our structural and theoretical results provide new insights into the effect that the M3N cluster species has on the dimerization process of endohedral fullerenes.
  • Others:

    Author, as appears in the article.: Voevodin, Anastasia; Abella, Laura; Castro, Edison; Paley, Daniel W; Campos, Luis M; Rodriguez-Fortea, Antonio; Poblet, Josep M; Echegoyen, Luis; Roy, Xavier
    Department: Química Física i Inorgànica
    URV's Author/s: Abella Guzman, Laura / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
    Keywords: Materials science Fullerenes Dimerization Crystal engineering Cluster compounds fullerenes dimerization crystal engineering cluster compounds
    Abstract: We describe a solid state material created from the reaction of Ni9Te6(PEt3)8 and Lu3N@C80. The resulting superatomic crystal, [Ni12Te12(PEt3)8]2[(Lu3N@C80)2], contains dimers of Lu3N@C80 that form upon reduction of the fullerene through a single C¿C bond at the triple hexagon junctions. The encapsulated Lu3N cluster displays an unprecedented orientation that is collinear and coplanar with the intercage carbon bond. Density functional theory calculations rationalize this unique bonding and relative orientation of the Lu3N clusters. Our structural and theoretical results provide new insights into the effect that the M3N cluster species has on the dimerization process of endohedral fullerenes.
    Thematic Areas: Química Organic chemistry Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Biotecnología Biodiversidade 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/acceptedVersion
    Link to the original source: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201703203
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: Chemistry-A European Journal. 23 (54): 13305-13308
    APA: Voevodin, Anastasia; Abella, Laura; Castro, Edison; Paley, Daniel W; Campos, Luis M; Rodriguez-Fortea, Antonio; Poblet, Josep M; Echegoyen, Luis; Roy, (2017). Dimerization of Endohedral Fullerene in a Superatomic Crystal. Chemistry-A European Journal, 23(54), 13305-13308. DOI: 10.1002/chem.201703203
    Article's DOI: 10.1002/chem.201703203
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2017
    Publication Type: Journal Publications
  • Keywords:

    Catalysis,Chemistry,Chemistry (Miscellaneous),Chemistry, Multidisciplinary,Organic Chemistry
    Materials science
    Fullerenes
    Dimerization
    Crystal engineering
    Cluster compounds
    fullerenes
    dimerization
    crystal engineering
    cluster compounds
    Química
    Organic chemistry
    Medicina i
    Materiais
    Interdisciplinar
    General medicine
    General chemistry
    Farmacia
    Engenharias iii
    Engenharias ii
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências agrárias i
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Chemistry
    Catalysis
    Biotecnología
    Biodiversidade
    Astronomia / física
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