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
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
Entity: Universitat Rovira i Virgili
Journal publication year: 2021
Publication Type: Journal Publications
Repositori URV