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
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
Entity: Universitat Rovira i Virgili
Journal publication year: 2017
Publication Type: Journal Publications
Repositori URV