Electrochemical reduction of cationic Li(+)@C(60) to neutral Li(+)@C(60)˙(–): isolation and characterisation of endohedral [60]fulleride

Lithium-encapsulated [60]fullerene Li@C(60), namely, lithium-ion-encapsulated [60]fullerene radical anion Li(+)@C(60)˙(–), was synthesised by electrochemical reduction of lithium-ion-encapsulated [60]fullerene trifluoromethanesulfonylimide salt [Li(+)@C(60)](TFSI(–)). The product was fully character...

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Detalles Bibliográficos
Autores principales: Ueno, Hiroshi, Aoyagi, Shinobu, Yamazaki, Yu, Ohkubo, Kei, Ikuma, Naohiko, Okada, Hiroshi, Kato, Tatsuhisa, Matsuo, Yutaka, Fukuzumi, Shunichi, Kokubo, Ken
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6022080/
https://www.ncbi.nlm.nih.gov/pubmed/30034715
http://dx.doi.org/10.1039/c6sc01209d
Descripción
Sumario:Lithium-encapsulated [60]fullerene Li@C(60), namely, lithium-ion-encapsulated [60]fullerene radical anion Li(+)@C(60)˙(–), was synthesised by electrochemical reduction of lithium-ion-encapsulated [60]fullerene trifluoromethanesulfonylimide salt [Li(+)@C(60)](TFSI(–)). The product was fully characterised by UV-vis-NIR absorption and ESR spectroscopy as well as single-crystal X-ray analysis for the co-crystal with nickel octaethylporphyrin. In solution Li@C(60) exists as a monomer form dominantly, while in the crystal state it forms a dimer (Li@C(60)–Li@C(60)) through coupling of the C(60) radical anion cage. These structural features were supported by DFT calculations at the M06-2X/6-31G(d) level of theory.

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