Au70S20(PPh3)12 as Superatomic Analog to 18-electron Transition-Metal Complexes,Zeitschrift für anorganische und allgemeine Chemie

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Au70S20(PPh3)12 as Superatomic Analog to 18-electron Transition-Metal Complexes
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-07-23 , DOI: 10.1002/zaac.202100134
Alvaro Rafael Muñoz-Castro ₁

Affiliation

Ligand-protected gold clusters are usually understood in terms of the superatom concept, where certain species are able to behaves as prototypical molecules. Here, we discuss the metalloid cluster Au₇₀S₂₀(PPh₃)₁₂ in terms of the bonding characteristics of its inner 18-cluster electron Au₂₂⁴⁺ core. Our interpretation is based on a SP³-hybridized core involving four fused Au₆ units denoting four equivalent hybridized localized orbitals, with the remaining electrons from the 1D¹⁰ state remaining as formally non-bonding orbitals. Such characteristics expose a rationalization of Au₇₀S₂₀(PPh₃)₁ as a superatomic analog for a transition metal complex, following the 18-electron rule, mimicking the classical bonding picture of the tetrahedral Ni(CO)₄ complex. The Au₂₂ core as an aggregate of Au₆ units encourages the search for further examples of SP³-cluster nodes precluding larger aggregates, contributing to the design opportunities of functional clusters and nanoparticles.

中文翻译：

Au70S20(PPh3)12 作为 18 电子过渡金属配合物的超原子模拟物

配体保护的金簇通常根据超原子概念来理解，其中某些物种能够表现为原型分子。在这里，我们讨论准金属簇 Au ₇₀ S ₂₀ (PPh ₃ ) ₁₂的内部 18 簇电子 Au ₂₂⁴⁺核的键合特性。我们的解释是基于 SP ³杂化核心，涉及四个融合的 Au ₆单元，表示四个等效的杂化局部轨道，来自 1D ¹⁰状态的剩余电子保留为形式上的非键合轨道。这些特性暴露了 Au ₇₀ S的合理化₂₀ (PPh ₃ ) ₁作为过渡金属配合物的超原子类似物，遵循18电子规则，模仿四面体Ni(CO) _{4 配合}物的经典键合图。Au ₂₂核作为 Au ₆单元的聚集体，鼓励寻找 SP ³簇节点的进一步例子，排除更大的聚集体，为功能簇和纳米粒子的设计机会做出贡献。

更新日期：2021-09-21

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