Document Type

Article

Journal/Book Title

Chemical Science

Publication Date

4-29-2019

Publisher

Royal Society of Chemistry

Award Number

NSF, Division of Chemistry (CHE) 1664379

Funder

NSF, Division of Chemistry (CHE)

Volume

10

Issue

22

First Page

5761

Creative Commons License

Creative Commons Attribution 4.0 License
This work is licensed under a Creative Commons Attribution 4.0 License.

Last Page

5765

Related Content

Boldyrev, A. I., & Tkachenko. (2021). Dataset for: Multiple local σ-aromaticity of nonagermanide clusters. Utah State University. https://doi.org/10.26078/B6GF-X750

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.

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