Threefold coordinated germanium in a GeO(2) melt

The local structure around germanium is a fundamental issue in material science and geochemistry. In the prevailing viewpoint, germanium in GeO(2) melt is coordinated by at least four oxygen atoms. However, the viewpoint has been debated for decades due to several unexplained bands present in the Ge...

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Autores principales: Wan, Songming, Zhang, Shujie, Li, Bin, Zhang, Xue, Gong, Xiaoye, You, Jinglin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10622558/
https://www.ncbi.nlm.nih.gov/pubmed/37919318
http://dx.doi.org/10.1038/s41467-023-42890-3
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author Wan, Songming
Zhang, Shujie
Li, Bin
Zhang, Xue
Gong, Xiaoye
You, Jinglin
author_facet Wan, Songming
Zhang, Shujie
Li, Bin
Zhang, Xue
Gong, Xiaoye
You, Jinglin
author_sort Wan, Songming
collection PubMed
description The local structure around germanium is a fundamental issue in material science and geochemistry. In the prevailing viewpoint, germanium in GeO(2) melt is coordinated by at least four oxygen atoms. However, the viewpoint has been debated for decades due to several unexplained bands present in the GeO(2) melt Raman spectra. Using in situ Raman spectroscopy and density functional theory (DFT) computation, we have found a [GeOØ(2)](n) (Ø = bridging oxygen) chain structure in a GeO(2) melt. In this structure, the germanium atom is coordinated by three oxygen atoms and interacts weakly with two neighbouring non-bridging oxygen atoms. The bonding nature of the chain has been analyzed on the basis of the computational electronic structure. The results may settle down the longstanding debate on the GeO(2) melt structure and modify our view on germanate chemistry.
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spelling pubmed-106225582023-11-04 Threefold coordinated germanium in a GeO(2) melt Wan, Songming Zhang, Shujie Li, Bin Zhang, Xue Gong, Xiaoye You, Jinglin Nat Commun Article The local structure around germanium is a fundamental issue in material science and geochemistry. In the prevailing viewpoint, germanium in GeO(2) melt is coordinated by at least four oxygen atoms. However, the viewpoint has been debated for decades due to several unexplained bands present in the GeO(2) melt Raman spectra. Using in situ Raman spectroscopy and density functional theory (DFT) computation, we have found a [GeOØ(2)](n) (Ø = bridging oxygen) chain structure in a GeO(2) melt. In this structure, the germanium atom is coordinated by three oxygen atoms and interacts weakly with two neighbouring non-bridging oxygen atoms. The bonding nature of the chain has been analyzed on the basis of the computational electronic structure. The results may settle down the longstanding debate on the GeO(2) melt structure and modify our view on germanate chemistry. Nature Publishing Group UK 2023-11-02 /pmc/articles/PMC10622558/ /pubmed/37919318 http://dx.doi.org/10.1038/s41467-023-42890-3 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Wan, Songming
Zhang, Shujie
Li, Bin
Zhang, Xue
Gong, Xiaoye
You, Jinglin
Threefold coordinated germanium in a GeO(2) melt
title Threefold coordinated germanium in a GeO(2) melt
title_full Threefold coordinated germanium in a GeO(2) melt
title_fullStr Threefold coordinated germanium in a GeO(2) melt
title_full_unstemmed Threefold coordinated germanium in a GeO(2) melt
title_short Threefold coordinated germanium in a GeO(2) melt
title_sort threefold coordinated germanium in a geo(2) melt
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10622558/
https://www.ncbi.nlm.nih.gov/pubmed/37919318
http://dx.doi.org/10.1038/s41467-023-42890-3
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