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Multiple local σ-aromaticity of nonagermanide clusters

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Abstract

Nonagermanide clusters are widely used in inorganic synthesis and are actively studied by experimentalists and theoreticians. However, chemical bonding of such versatile species is still not completely understood. In our work we deciphered a bonding pattern for various experimentally obtained nonagermanide species. We localized the electron density via the AdNDP algorithm for the model structures ([Ge9]4−, [Ge9{P(NH2)2}3], Cu[Ge9{P(NH2)2}3] and Cu(NHC)[Ge9{P(NH2)2}3]) and obtained a simple and chemically intuitive bonding pattern which can explain the variety of active sites and the existence of both D3h and C4v geometries for such clusters. Moreover, the [Ge9]4− core is found to be a unique example of an inorganic Zintl cluster with multiple local σ-aromaticity.

Graphical abstract: Multiple local σ-aromaticity of nonagermanide clusters

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Publication details

The article was received on 22 Feb 2019, accepted on 25 Apr 2019 and first published on 29 Apr 2019


Article type: Edge Article
DOI: 10.1039/C9SC00929A
Chem. Sci., 2019, Advance Article
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    Multiple local σ-aromaticity of nonagermanide clusters

    N. V. Tkachenko and A. I. Boldyrev, Chem. Sci., 2019, Advance Article , DOI: 10.1039/C9SC00929A

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