Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates
Effects of partial substitution of Zn by Mn on the electronic and atomic structure of diphosphates Zn₂₋xMnxP₂O₇⋅5H₂O (x = 0.0, 0.7) have been studied out by X-ray photoelectron spectroscopy, IR spectroscopy, NMR and thermogravimetric analysis. Analysis of the infrared absorption spectra was carried...
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| Дата: | 2014 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
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НТК «Інститут монокристалів» НАН України
2014
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| Назва видання: | Functional Materials |
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| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120372 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates / S.S. Smolyak, V.L. Karbivskyy, V.H. Kasiyanenko // Functional Materials. — 2014. — Т. 21, № 1. — С. 80-85. — Бібліогр.: 13 назв. — англ. |
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irk-123456789-1203722017-06-13T03:04:04Z Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates Smolyak, S.S. Karbivskyy, V.L. Kasiyanenko, V.H. Modeling and simulation Effects of partial substitution of Zn by Mn on the electronic and atomic structure of diphosphates Zn₂₋xMnxP₂O₇⋅5H₂O (x = 0.0, 0.7) have been studied out by X-ray photoelectron spectroscopy, IR spectroscopy, NMR and thermogravimetric analysis. Analysis of the infrared absorption spectra was carried out for functional groups of Zn₂P₂O₇⋅5H₂O and Zn₁.₃Mn₀.₇P₂O₇5H₂O compounds. Through correlation between the symmetric and asymmetric stretching vibrations of P-O-P bridge and P-O-P angle an increase of P-O-P bridge angle was established for Zn₁.₃Mn₀.₇P₂O₇5H₂O. Substitution of zinc by manganese has little impact on the overall balance of chemical bond in the compound, which is manifested in minor changes of the core electrons binding energies. 2014 Article Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates / S.S. Smolyak, V.L. Karbivskyy, V.H. Kasiyanenko // Functional Materials. — 2014. — Т. 21, № 1. — С. 80-85. — Бібліогр.: 13 назв. — англ. 1027-5495 http://dspace.nbuv.gov.ua/handle/123456789/120372 DOI: dx.doi.org/10.15407/fm21.01.080 en Functional Materials НТК «Інститут монокристалів» НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
Modeling and simulation Modeling and simulation |
| spellingShingle |
Modeling and simulation Modeling and simulation Smolyak, S.S. Karbivskyy, V.L. Kasiyanenko, V.H. Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates Functional Materials |
| description |
Effects of partial substitution of Zn by Mn on the electronic and atomic structure of diphosphates Zn₂₋xMnxP₂O₇⋅5H₂O (x = 0.0, 0.7) have been studied out by X-ray photoelectron spectroscopy, IR spectroscopy, NMR and thermogravimetric analysis. Analysis of the infrared absorption spectra was carried out for functional groups of Zn₂P₂O₇⋅5H₂O and Zn₁.₃Mn₀.₇P₂O₇5H₂O compounds. Through correlation between the symmetric and asymmetric stretching vibrations of P-O-P bridge and P-O-P angle an increase of P-O-P bridge angle was established for Zn₁.₃Mn₀.₇P₂O₇5H₂O. Substitution of zinc by manganese has little impact on the overall balance of chemical bond in the compound, which is manifested in minor changes of the core electrons binding energies. |
| format |
Article |
| author |
Smolyak, S.S. Karbivskyy, V.L. Kasiyanenko, V.H. |
| author_facet |
Smolyak, S.S. Karbivskyy, V.L. Kasiyanenko, V.H. |
| author_sort |
Smolyak, S.S. |
| title |
Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates |
| title_short |
Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates |
| title_full |
Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates |
| title_fullStr |
Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates |
| title_full_unstemmed |
Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates |
| title_sort |
electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2014 |
| topic_facet |
Modeling and simulation |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120372 |
| citation_txt |
Electronic structure and atomic structure peculiarities of isomorphic modified zinc diphosphates / S.S. Smolyak, V.L. Karbivskyy, V.H. Kasiyanenko // Functional Materials. — 2014. — Т. 21, № 1. — С. 80-85. — Бібліогр.: 13 назв. — англ. |
| series |
Functional Materials |
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2023-10-18T20:36:54Z |
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