Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal
On the basis of the perturbation formulas for a d¹ configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR) parameters (g factors gi and hyperfine structure constants Ai for i = || and ⊥, respectively) of VO²⁺ in Na₃C₆H₅O₇·2H₂O sin...
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| Дата: | 2015 |
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| Формат: | Стаття |
| Мова: | English |
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Інститут фізики конденсованих систем НАН України
2015
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/153583 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal / Ch.-Y. Li, G.-X. Wang, X.-M. Zheng // Condensed Matter Physics. — 2015. — Т. 18, № 2. — С. 23701: 1–5. — Бібліогр.: 27 назв. — англ. |
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irk-123456789-1535832020-11-19T14:58:53Z Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal Li, Ch.-Y. Wang, G.-X. Zheng, X.-M. On the basis of the perturbation formulas for a d¹ configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR) parameters (g factors gi and hyperfine structure constants Ai for i = || and ⊥, respectively) of VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystals were studied using the perturbation theory method. By simulating the calculated optical and EPR spectra to the observed values, local structure parameters and negative signs of the hyperfine structure constants Ai of the octahedral (VO₆)⁸⁻ cluster in {TSCD} single crystal can be obtained. Базуючись на пертурбацiйних формулах для iону конфiгурацiї d ¹ у тетрагональному кристалiчному полi, було дослiджено три смуги оптичного поглинання та параметри електронного парамагнiтного резонансу (ЕПР) (g-фактори gi та константи надтонкої структури Ai для i =∥ i ⊥, вiдповiдно) для VO²⁺ у монокристалах Na₃C₆H₅O₇·2H₂O, використовуючи метод теорiї збурень. Допасовуючи обчисленi оптичнi спектри та спектри ЕПР до спостережуваних значень, можна отримати локальнi структурнi параметри та вiд’ємнi знаки констант надтонкої структури Ai октаедричного кластера (VO₆)⁸⁻ 8− в монокристалi тринатрiйцитрат дигiдрату. 2015 Article Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal / Ch.-Y. Li, G.-X. Wang, X.-M. Zheng // Condensed Matter Physics. — 2015. — Т. 18, № 2. — С. 23701: 1–5. — Бібліогр.: 27 назв. — англ. 1607-324X PACS: 76.30.Fc, 75.10.Dg, 71.70.ch DOI:10.5488/CMP.18.23701 arXiv:1506.03969 http://dspace.nbuv.gov.ua/handle/123456789/153583 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
On the basis of the perturbation formulas for a d¹ configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR) parameters (g factors gi and hyperfine structure constants Ai for i = || and ⊥, respectively) of VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystals were studied using the perturbation theory method. By simulating the calculated optical and EPR spectra to the observed values, local structure parameters and negative signs of the hyperfine structure constants Ai of the octahedral (VO₆)⁸⁻ cluster in {TSCD} single crystal can be obtained. |
| format |
Article |
| author |
Li, Ch.-Y. Wang, G.-X. Zheng, X.-M. |
| spellingShingle |
Li, Ch.-Y. Wang, G.-X. Zheng, X.-M. Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal Condensed Matter Physics |
| author_facet |
Li, Ch.-Y. Wang, G.-X. Zheng, X.-M. |
| author_sort |
Li, Ch.-Y. |
| title |
Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal |
| title_short |
Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal |
| title_full |
Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal |
| title_fullStr |
Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal |
| title_full_unstemmed |
Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal |
| title_sort |
theoretical studies of the optical and epr spectra for vo²⁺ in na₃c₆h₅o₇·2h₂o single crystal |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2015 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/153583 |
| citation_txt |
Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal / Ch.-Y. Li, G.-X. Wang, X.-M. Zheng // Condensed Matter Physics. — 2015. — Т. 18, № 2. — С. 23701: 1–5. — Бібліогр.: 27 назв. — англ. |
| series |
Condensed Matter Physics |
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