Exploring the origin of chirality in Ag 8 clusters based on modular disassembly

Abstract

A pair of chiral R/S-Ag8 clusters using chiral thiol ligands was reported. The R/S-Ag8 cluster can be disassembled into two Ag4 units, with one being a chiral twisted and the other a centrally symmetric structure. From DFT calculations, the different chiral origins of the two Ag4 units were revealed, and assembly further induces chiral enhancement.Chirality is a ubiquitous phenomenon in nature, manifesting across various length scales, from chiral molecules to spiral galaxies. [1][2] In recent years, metal-containing chirality-based materials have rapidly developed due to their rich optical, electrical and catalytic properties. [3][4][5] However, the formation mechanism and origin of chirality-based materials remain unclear. 6 Clusters possess ultrasmall size and precise geometric structures, which can serve as research platforms to reveal the origin of chirality. [7][8][9][10] As more and more structures of chiral clusters are revealed, the origin of chirality in clusters can be attributed to: 1) chiral cores; 2) chiral carbon tails; 3) the chiral arrangement of ligands. [11][12][13][14][15][16][17] Unlike traditional chiral carbon atoms, the chirality presentation of the core of the cluster is more like that of macroscopic objects, so when studying the chirality of clusters, the core is often regarded as an entirety. [18][19][20] This is not conducive to exploring the influence of the core on its chiral asymmetry factor and chiral stability. Previous literature reports that disassembling the core of a cluster into numerous building blocks is beneficial for understanding the formation mechanism of the core. 21- 25 Therefore, we believe that the modular disassembly of the cluster's chiral core, followed by an investigation into the reasons for 2 | J.