Autor segons l'article: Meng, Qingyu; Morales-Martinez, Roser; Zhuang, Jiaxin; Yao, Yang-Rong; Wang, Yaofeng; Feng, Lai; Poblet, Josep M; Rodriguez-Fortea, Antonio; Chen, Ning
Departament: Química Física i Inorgànica
Autor/s de la URV: Morales Martínez, Roser / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio
Paraules clau: 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
Resum: 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.
Àrees temàtiques: 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
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: josepmaria.poblet@urv.cat antonio.rodriguezf@urv.cat
Identificador de l'autor: 0000-0002-4533-0623 0000-0001-5884-5629
Data d'alta del registre: 2024-10-12
Versió de l'article dipositat: info:eu-repo/semantics/acceptedVersion
Enllaç font original: https://pubs.acs.org/doi/10.1021/acs.inorgchem.1c01496
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: Inorganic Chemistry. 60 (15): 11496-11502
Referència de l'ítem segons les normes 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
DOI de l'article: 10.1021/acs.inorgchem.1c01496
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2021
Tipus de publicació: Journal Publications
Repositori URV