Articles producció científica> Química Física i Inorgànica

Synthesis and Characterization of Two Isomers of Th@C-82: Th@C-2v(9)-C-82 and Th@C-2(5)-C-82

  • Identification data

    Identifier: imarina:9226408
    Handle: https://hdl.handle.net/20.500.11797/imarina9226408
    Authors:
    Meng, QingyuMorales-Martinez, RoserZhuang, JiaxinYao, Yang-RongWang, YaofengFeng, LaiPoblet, Josep MRodriguez-Fortea, AntonioChen, Ning
    Abstract:
    Actinide endohedral fullerenes have demonstrated remarkably different physicochemical properties compared to their lanthanide analogues. In this work, two novel isomers of Th@C-82 were successfully synthesized, isolated, and fully characterized by mass spectrometry, X-ray single crystallography, UV-vis-NIR spectroscopy, Raman spectroscopy, and cyclic voltammetry. The molecular structures of the two isomers were determined unambiguously as Th@C-2v(9)-C-82 and Th@C-2(5)-C-82 by single-crystal X-ray diffraction analysis. Raman and UV-vis-NIR spectroscopies further confirm the assignment of the cage isomers. Electrochemical gaps suggest that both Th@C-2v(9)-C-82 and Th@ C-2(5)-C-82 possess a stable closed-shell electronic structure. The computational results further confirm that Th@C-2v(9)-C-82 and Th@ C-2(5)-C-82 exhibit a unique four-electron charge transfer from the metal to the carbon cage and are among the most abundant isomers of Th@C-82.

  • Others:

    Author, as appears in the article.: Meng, Qingyu; Morales-Martinez, Roser; Zhuang, Jiaxin; Yao, Yang-Rong; Wang, Yaofeng; Feng, Lai; Poblet, Josep M; Rodriguez-Fortea, Antonio; Chen, Ning
    Department: Química Física i Inorgànica
    URV's Author/s: Morales Martínez, Roser / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
    Keywords: X ray powder diffraction X ray crystallography Uv-vis-nir spectroscopy Thorium metallography Synthesis and characterizations Single crystals Single crystal x-ray diffraction analysis Raman Physicochemical properties Near infrared spectroscopy Metallofullerenes Mass spectrometry Isomers Infrared devices Four electrons Endohedral fullerenes Endohedral fullerene Electronic structure Cyclic voltammetry Computational results Closed shells Charge transfer Carbon cages
    Abstract: Actinide endohedral fullerenes have demonstrated remarkably different physicochemical properties compared to their lanthanide analogues. In this work, two novel isomers of Th@C-82 were successfully synthesized, isolated, and fully characterized by mass spectrometry, X-ray single crystallography, UV-vis-NIR spectroscopy, Raman spectroscopy, and cyclic voltammetry. The molecular structures of the two isomers were determined unambiguously as Th@C-2v(9)-C-82 and Th@C-2(5)-C-82 by single-crystal X-ray diffraction analysis. Raman and UV-vis-NIR spectroscopies further confirm the assignment of the cage isomers. Electrochemical gaps suggest that both Th@C-2v(9)-C-82 and Th@ C-2(5)-C-82 possess a stable closed-shell electronic structure. The computational results further confirm that Th@C-2v(9)-C-82 and Th@ C-2(5)-C-82 exhibit a unique four-electron charge transfer from the metal to the carbon cage and are among the most abundant isomers of Th@C-82.
    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/
    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://pubs.acs.org/doi/10.1021/acs.inorgchem.1c01496
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: Inorganic Chemistry. 60 (15): 11496-11502
    APA: Meng, Qingyu; Morales-Martinez, Roser; Zhuang, Jiaxin; Yao, Yang-Rong; Wang, Yaofeng; Feng, Lai; Poblet, Josep M; Rodriguez-Fortea, Antonio; Chen, Nin (2021). Synthesis and Characterization of Two Isomers of Th@C-82: Th@C-2v(9)-C-82 and Th@C-2(5)-C-82. Inorganic Chemistry, 60(15), 11496-11502. DOI: 10.1021/acs.inorgchem.1c01496
    Article's DOI: 10.1021/acs.inorgchem.1c01496
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2021
    Publication Type: Journal Publications

  • Keywords:

    Chemistry (Miscellaneous),Chemistry, Inorganic & Nuclear,Inorganic Chemistry,Physical and Theoretical Chemistry
    X ray powder diffraction
    X ray crystallography
    Uv-vis-nir spectroscopy
    Thorium metallography
    Synthesis and characterizations
    Single crystals
    Single crystal x-ray diffraction analysis
    Raman
    Physicochemical properties
    Near infrared spectroscopy
    Metallofullerenes
    Mass spectrometry
    Isomers
    Infrared devices
    Four electrons
    Endohedral fullerenes
    Endohedral fullerene
    Electronic structure
    Cyclic voltammetry
    Computational results
    Closed shells
    Charge transfer
    Carbon cages
    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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