Hückel's Rule of Aromaticity Categorizes Aromatic closo Boron Hydride Clusters,Chemistry - A European Journal

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Hückel's Rule of Aromaticity Categorizes Aromatic closo Boron Hydride Clusters
Chemistry - A European Journal ( IF 3.9 ) Pub Date : 2016-04-27 , DOI: 10.1002/chem.201600510
Jordi Poater _{1,

2} , Miquel Solà ₃ , Clara Viñas ₄ , Francesc Teixidor ₄

Affiliation

A direct connection is established between three‐dimensional aromatic closo boron hydride clusters and planar aromatic [n]annulenes for medium and large boron clusters. In particular, the results prove the existence of a link between the two‐dimensional Hückel rule, as followed by aromatic [n]annulenes, and Wade–Mingos’ rule of three‐dimensional aromaticity, as applied to the aromatic [B_nH_n]²⁻ closo boron hydride clusters. The closo boron hydride clusters can be categorized into different series, according to the n value of the Hückel (4 n+2) π rule. The distinct categories studied in this work correspond to n=1, 2, and 3. Each category increases in geometrical difficulty but, more importantly, it is possible to associate each category with the number of pentagonal layers in the structure perpendicular to the main axis. Category 1 has one pentagonal layer, category 2 has two, and category 3 has three.

中文翻译：

赫克尔的芳香性规则将芳香族closo硼氢化物簇分类

在中型和大型硼团簇的三维芳族closo氢化硼簇和平面芳族[ n ]环烯之间建立了直接连接。尤其是，结果证明了二维Hückel规则（随后是芳香族[ n ]环）和Wade-Mingos三维芳香性规则之间存在联系，该规则应用于芳香族[B _n H _n ] ^2- 氯梭氢化硼簇。所述闭合碳硼氢化物簇可以被分为不同的系列，根据Ñ休克尔的值（4 Ñ+2）π法则。在这项工作中研究的不同类别对应于n = 1、2和3。每个类别的几何难度都会增加，但更重要的是，可以将每个类别与垂直于主轴的结构中的五边形层数关联起来。类别1具有一个五边形层，类别2具有两个五角形层，类别3具有三个五角形层。

更新日期：2016-04-27

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