A Shape-Adaptable Organometallic Supramolecular Coordination Cage for the Encapsulation of Fullerenes

Chemistry : a European Journal
Víctor Martínez-AgramuntEduardo Peris

Abstract

The development of three-dimensional supramolecular coordination complexes (SCCs), with cavities suitable for guest binding, is of great interest because these materials are useful in a large number of applications. Herein, a nickel-conjoined organometallic molecular prism is described, which has been fully characterized. The X-ray diffraction structure of the molecule reveals that the cage possesses an internal cavity with a volume of 1028 Å3 , thus suitable for the encapsulation of large 3D-molecules, such as fullerenes. This cage shows highly selective complexation of C70 over C60 , thus being potentially useful for fullerene separation and purification. The combined experimental and computational studies suggest that the complexation process is largely entropically-driven, and DFT calculations suggest that the cage is flexible and can adapt the size and the shape of the cavity to maximize the face-to-face interaction with the fullerenes.

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Citations

Feb 26, 2019·Angewandte Chemie·Victor Martínez-AgramuntEduardo Peris
May 1, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Xingyu XuXiaoyu Yan
Mar 19, 2019·Angewandte Chemie·Susana Ibáñez, Eduardo Peris
Feb 23, 2019·Chemical Communications : Chem Comm·Yu-Dong Yang, Han-Yuan Gong
Apr 22, 2021·Chemistry : a European Journal·Long ZhangGuo-Xin Jin
Jun 15, 2021·Chemical Science·Alex J PlajerJonathan R Nitschke
Aug 14, 2019·Inorganic Chemistry·Víctor Martínez-Agramunt, Eduardo Peris
Jul 10, 2020·Accounts of Chemical Research·Susana IbáñezEduardo Peris

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