Herein we report the systematic exploration of the potential energy surfaces of a series of clusters with formula E₅M₇⁺ (E=C‐Pb and M=Li‐Cs). Fifteen of these combinations adopt a D_5h three‐dimensional seven‐pointed star‐like structure in a singlet state, where M atoms interact electrostatically with the E₅ ring. The determining factors in the relative preference of having the D_5h structure over the most competitive isomer or vice‐versa are analyzed. These star‐shaped systems satisfy the 4n+2 Hückel's rule and exhibit a strong diatropic (σ and π) response to an external magnetic field.

中文翻译：

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E5M7 +（E = C–Pb，M = Li–Cs）：可行的星状星团的来源

本文中，我们报告了对具有式E ₅ M ₇ ⁺（E = C-Pb和M = Li-Cs）的一系列簇的势能面的系统探索。这些组合中的十五个采用单峰态的D _{5 h}三维七点星状结构，其中M原子与E ₅环发生静电相互作用。分析了具有D _{5 h}结构而不是最具竞争性的异构体（反之亦然）的相对决定因素。这些星形系统满足4n + 2Hückel法则，并且对外部磁场表现出很强的变径（σ和π）响应。