Academic Journal
Local environment of cations in double shellites Li(Na)Bi(MoO4)2 by NMR data and quantum-chemical calculations
| العنوان: | Local environment of cations in double shellites Li(Na)Bi(MoO4)2 by NMR data and quantum-chemical calculations |
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| المؤلفون: | N.A. Zhuravlev, D.V. Suetin, I.R. Shein, A.V. Skachkov, A.A. Savina, T.S. Spiridonova, A.L. Buzlukov, T.A. Denisova |
| المصدر: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 9, Pp 189-198 (2017) |
| بيانات النشر: | Tver State University, 2017. |
| سنة النشر: | 2017 |
| المجموعة: | LCC:Physical and theoretical chemistry |
| مصطلحات موضوعية: | LiBi(MoO4)2, NaBi(MoO4)2, scheelite structure, electronic structure, quantum chemical calculations, NMR 7Li, 23Na, parameters of EFG, Physical and theoretical chemistry, QD450-801 |
| الوصف: | The electronic structure was calculated by the first-principle methods of quantum chemistry and the parameters of the electric field gradient near the 7Li nuclei of the double molybdate LiBi(MoO4)2 were determined. Analysis of the NMR spectra revealed that the states of the 7Li nuclei in LiBi(MoO4)2 in the cation sublattice do not differ, whereas in the NaBi(MoO4)2, the Na atoms in Bi positions have different populations and electric field characteristics. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | Russian |
| تدمد: | 2226-4442 2658-4360 |
| Relation: | http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-189.pdf; https://doaj.org/toc/2226-4442; https://doaj.org/toc/2658-4360 |
| DOI: | 10.26456/pcascnn/2017.9.189 |
| URL الوصول: | https://doaj.org/article/bc81b6446c134ba0a7640449e0239800 |
| رقم الانضمام: | edsdoj.bc81b6446c134ba0a7640449e0239800 |
| قاعدة البيانات: | Directory of Open Access Journals |
| تدمد: | 22264442 26584360 |
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| DOI: | 10.26456/pcascnn/2017.9.189 |