Magic Clusters PtMg2, 3H5− Facilitated by Local σ‐Aromaticity. Issue 21 (11th October 2020)

• Record Type: Journal Article
• Authors: Wang, Wei; Wang, Jie; Gong, Chu; Zhu, Zhaoguo; Bowen, Kit H.; Zhang, Xinxing
• Is Part Of: Chemphyschem. Volume 21:Issue 21(2020)
• Page Start: 2388
• Page End: 2391
• Publication Date: 2020-10-11
• Subjects: ab initio calculations -- local σ-aromaticity -- magic cluster -- metal hydride -- photoelectron spectroscopy; Chemistry, Physical and theoretical -- Periodicals; 541.05
• DOI: 10.1002/cphc.202000691
• Languages: English
• ISSNs: 1439-4235

Abstract

Abstract: The concept of local aromaticity has been successfully utilized in understanding the stability of certain atomic clusters. However, all the skeleton atoms in these clusters are covered by at least one local aromatic feature, collectively making the multiple local aromaticities coexist globally. Herein we show the robustness of local aromaticity as a tool for the discovery of novel magic clusters: not all of the skeleton atoms need to be covered by an aromatic feature to make the cluster magic. In this study, the PtMg2, 3 H5 − cluster anions are generated by a unique high‐current pulsed discharge ion source and found to be magic numbers using mass spectrometry. Photoelectron spectroscopy and calculations confirm that only the PtH4 2− kernels in these clusters are locally aromatic. Based on these results, we propose that local aromaticity can be gainfully utilized as a new potential magic rule in the search for magic numbers. Abstract : Making clusters magic : How far can we stretch the applicability of local aromaticity in discovering a stable cluster? In this study, single σ‐local aromaticity that does not cover all the atoms in PtMg2, 3H5 − can still make them magic in the mass spectrum, suggesting a great potential of local aromaticity in finding new magic clusters.