Cu28H20: a peculiar chiral nanocluster with an exposed Cu atom and 13 surface hydrides

Reported herein is a racemate of a chiral nanocluster [Cu28H20(S2P(OiPr)2)9]−, which has a tetrahedral Cu4 core embedded in a peculiar Cu24 shell. The Cu28H20 framework conforms to idealized C3 symmetry. The positions of the hydrides were determined by a combinatorial use of 2H NMR and SC-XRD, revea...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2022-07, Vol.58 (55), p.7670-7673
Main Authors: Liu, Xianhu, Shen, Hui, Gao, Yang, Deng, Guocheng, Deng, Hongwen, Ying-Zi Han, Teo, Boon K, Zheng, Nanfeng
Format: Article
Language:English
Subjects:
Combinatorial analysis
Coordination
Exposure
Hydrides
Nanoclusters
NMR
Nuclear magnetic resonance
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Summary:Reported herein is a racemate of a chiral nanocluster [Cu28H20(S2P(OiPr)2)9]−, which has a tetrahedral Cu4 core embedded in a peculiar Cu24 shell. The Cu28H20 framework conforms to idealized C3 symmetry. The positions of the hydrides were determined by a combinatorial use of 2H NMR and SC-XRD, revealing four different coordination modes: face-capping μ3-H, butterfly μ4′-H, tetrahedral μ4-H, and square-pyramidal μ5-H. These coordination modes were authenticated by DFT calculations. Simple empirical rules were developed for assigning the H NMR spectra. One exposed Cu atom from the Cu4 core and 13 exposed surface hydrides are easily accessible and thus may have catalytic functions.
ISSN:1359-7345
1364-548X
DOI:10.1039/d1cc06415k