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
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