Exploration of multiple bonds between superatoms remains an uncharted territory. In this study, we present the synthesis and characterization of N₂-type superatomic molecules featuring triple bonds between two superatoms. The successful synthesis of M₂Au₁₇ (M = Pd, Pt) nanoclusters hinged upon the photoinduced fusion of MAu₁₂ superatoms, achieved through sequential electron transfer and detachment of [AuPR₃]⁺ species. Solid-state structures were confirmed via X-ray crystallography, while their electronic structures were elucidated through density functional theory (DFT) calculations. Analysis of electronic absorption properties, coupled with time-dependent DFT calculations, unveiled a symmetry-dependent electron transition nature between superatomic molecular orbitals, akin to that observed in conventional molecules.

中文翻译：

---

N2型超原子分子的合成


超原子之间多重键的探索仍然是一个未知领域。在这项研究中，我们介绍了 N ₂ 型超原子分子的合成和表征，该分子在两个超原子之间具有三键。 M ₂ Au ₁₇ (M = Pd, Pt) 纳米团簇的成功合成取决于 MAu ₁₂ 超原子的光致聚变，这是通过顺序电子转移和[AuPR ₃ ] ⁺ 物种的脱离。通过 X 射线晶体学证实了固态结构，并通过密度泛函理论 (DFT) 计算阐明了它们的电子结构。对电子吸收特性的分析，加上时间相关的 DFT 计算，揭示了超原子分子轨道之间对称性相关的电子跃迁性质，类似于在传统分子中观察到的情况。