Wang Wei, Wang Jie, Gong Chu, Zhu Zhaoguo, Bowen Kit H, Zhang Xinxing
Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Renewable Energy Conversion and Storage Center (ReCAST), College of Chemistry, Nankai University, Tianjin, 300071, China.
Departments of Chemistry and Material Science, Johns Hopkins University, Baltimore, MD, 21218, USA.
Chemphyschem. 2020 Nov 3;21(21):2388-2391. doi: 10.1002/cphc.202000691. Epub 2020 Oct 11.
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 PtMg H 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 PtH 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.
局部芳香性的概念已成功用于理解某些原子团簇的稳定性。然而,这些团簇中的所有骨架原子都至少被一个局部芳香特征所覆盖,从而使得多个局部芳香性在整体上共存。在此我们展示了局部芳香性作为发现新型幻数团簇工具的稳健性:并非所有骨架原子都需要被芳香特征覆盖才能使团簇具有幻数性质。在本研究中,PtMgH团簇阴离子由独特的高电流脉冲放电离子源产生,并通过质谱法发现其具有幻数。光电子能谱和计算结果证实,这些团簇中只有PtH核具有局部芳香性。基于这些结果,我们提出局部芳香性可作为寻找幻数的一种新的潜在幻数规则而得到有效利用。