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Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2)
In situ high-temperature Raman spectra of polycrystalline KBi(MoO(4))(2) were recorded from room temperature to 1073 K. Thermal stability of the monoclinic KBi(MoO(4))(2) was examined by temperature-dependent XRD. The monoclinic phase transformed into the scheelite tetragonal structure at 833 K, and...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7729462/ https://www.ncbi.nlm.nih.gov/pubmed/33266098 http://dx.doi.org/10.3390/ma13235453 |
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author | Wang, Min Wang, Changhao Wang, Jian Lu, Liming Gong, Xiaoye Tang, Xiaohui Zhang, Fu You, Jinglin |
author_facet | Wang, Min Wang, Changhao Wang, Jian Lu, Liming Gong, Xiaoye Tang, Xiaohui Zhang, Fu You, Jinglin |
author_sort | Wang, Min |
collection | PubMed |
description | In situ high-temperature Raman spectra of polycrystalline KBi(MoO(4))(2) were recorded from room temperature to 1073 K. Thermal stability of the monoclinic KBi(MoO(4))(2) was examined by temperature-dependent XRD. The monoclinic phase transformed into the scheelite tetragonal structure at 833 K, and then to the monoclinic phase at 773 K. Quantum chemistry ab initio calculation was performed to simulate the Raman spectra of the structure of KBi(MoO(4))(2) high-temperature melt. The experimental Raman band at 1023 K was deconvoluted into seven Gaussian peaks, and the calculated results were in good agreement with the experimental data. Therefore, the vibrational modes of Raman peaks of molten KBi(MoO(4))(2) were assigned. It was confirmed that the isolated structure of [Bi(MoO(4))(2)](−) monomer, consisting of Mo(6+) centers and Bi(3+) sub-centers connected by edge-sharing, mainly exists in the melt of KBi(MoO(4))(2). |
format | Online Article Text |
id | pubmed-7729462 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-77294622020-12-12 Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) Wang, Min Wang, Changhao Wang, Jian Lu, Liming Gong, Xiaoye Tang, Xiaohui Zhang, Fu You, Jinglin Materials (Basel) Article In situ high-temperature Raman spectra of polycrystalline KBi(MoO(4))(2) were recorded from room temperature to 1073 K. Thermal stability of the monoclinic KBi(MoO(4))(2) was examined by temperature-dependent XRD. The monoclinic phase transformed into the scheelite tetragonal structure at 833 K, and then to the monoclinic phase at 773 K. Quantum chemistry ab initio calculation was performed to simulate the Raman spectra of the structure of KBi(MoO(4))(2) high-temperature melt. The experimental Raman band at 1023 K was deconvoluted into seven Gaussian peaks, and the calculated results were in good agreement with the experimental data. Therefore, the vibrational modes of Raman peaks of molten KBi(MoO(4))(2) were assigned. It was confirmed that the isolated structure of [Bi(MoO(4))(2)](−) monomer, consisting of Mo(6+) centers and Bi(3+) sub-centers connected by edge-sharing, mainly exists in the melt of KBi(MoO(4))(2). MDPI 2020-11-30 /pmc/articles/PMC7729462/ /pubmed/33266098 http://dx.doi.org/10.3390/ma13235453 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Wang, Min Wang, Changhao Wang, Jian Lu, Liming Gong, Xiaoye Tang, Xiaohui Zhang, Fu You, Jinglin Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) |
title | Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) |
title_full | Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) |
title_fullStr | Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) |
title_full_unstemmed | Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) |
title_short | Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO(4))(2) |
title_sort | temperature-dependent raman spectroscopic study of the double molybdate kbi(moo(4))(2) |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7729462/ https://www.ncbi.nlm.nih.gov/pubmed/33266098 http://dx.doi.org/10.3390/ma13235453 |
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