Cu28H20: a peculiar chiral nanocluster with an exposed Cu atom and 13 surface hydrides. Issue 55 (21st June 2022)

• Record Type: Journal Article
• Authors: Liu, Xianhu; Shen, Hui; Gao, Yang; Deng, Guocheng; Deng, Hongwen; Han, Ying-Zi; Teo, Boon K.; Zheng, Nanfeng
• Is Part Of: Chemical communications. Volume 58:Issue 55(2022)
• Page Start: 7670
• Page End: 7673
• Publication Date: 2022-06-21
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/d1cc06415k
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : A racemate of monoanionic chiral [Cu28 H20 (S2 P(OiPr)2 )9 ] − cluster containing four different hydride coordination modes with one Cu and thirteen hydrides exposed is reported. Abstract : Reported herein is a racemate of a chiral nanocluster [Cu28 H20 (S2 P(OiPr)2 )9 ] −, which has a tetrahedral Cu4 core embedded in a peculiar Cu24 shell. The Cu28 H20 framework conforms to idealized C 3 symmetry. The positions of the hydrides were determined by a combinatorial use of 2 H 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.