Open‐Cage Fullerene as a Selective Molecular Trap for LiF/[BeF]+. (14th February 2023)

• Record Type: Journal Article
• Authors: Gao, Rui; Liu, Zhen; Liu, Zeyu; Liang, Tongling; Su, Jie; Gan, Liangbing
• Is Part Of: Angewandte Chemie. Volume 135:Number 12(2023)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2023-02-14
• Subjects: Beryllium -- Fullerenes -- Host-Guest Systems -- Lithium Bond -- Molecular Containers; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.202300151
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: The insertion of ionic compounds into open‐cage fullerenes is a challenging task due to the electropositive nature of the cavity. The present work reports the preparation of an open‐cage C60 derivative with a hydroxy group pointing towards the centre of the cavity, which can coordinate to a metal cation, thus acting as a bait/hook to trap the metal cation such as the lithium cation in neutral LiF and the beryllium cation in the cationic [BeF] + species. Other metal salts could not be inserted under similar conditions. The structure of MF in the cage was unambiguously determined by single‐crystal X‐ray diffraction. Owing to its tendency to undergo polycoordination, Li + monomer salts have not been isolated before, despite extensive research on Li bonds. The present results provide a unique example of a Li bond. Abstract : An open‐cage fullerene derivative (trap) was prepared with a hydroxy group (bait/hook) pointing towards the center of the cavity and a diphenyl pocket above the 21‐membered orifice. The hydroxy group could coordinate lithium and beryllium cations, which led to the encapsulation of LiF and [BeF] + in the fullerene. The hydroxy group was also shown to form hydrogen bonds with molecules such as water, methanol, and ethanol in the diphenyl pocket.