Enviar artigo por via de e-mail Structure of the (O@Nb6O18)8– and (O@Ta6O18)8– Clusters: A Quantum-Chemical Study
- Autores: Makarova M.1, Semenov S.1, Bedrina M.2, Titov A.1
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Afiliações:
- Konstantinov Petersburg Institute of Nuclear Physics
- St. Petersburg State University
- Edição: Volume 88, Nº 11 (2018)
- Páginas: 2432-2434
- Seção: Letters to the Editor
- URL: https://journals.rcsi.science/1070-3632/article/view/222562
- DOI: https://doi.org/10.1134/S1070363218110282
- ID: 222562
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Resumo
The symmetry (Oh) and internuclear distances in (O@Nb6O18)8–/aq, (O@Ta6O18)8–/aq, O@Nb6O18(Na/K)8, and O@Ta6O18(Na/K)8 clusters were determined by DFT PBE0 calculations. The models of a multicharged cluster in a polarizable aqueous medium and a cluster stabilized by the Na+ and K+ cations provide the agreement of calculations for the hexaniobate and hexatantalate octaanions wuth X-ray diffraction data.
Sobre autores
M. Makarova
Konstantinov Petersburg Institute of Nuclear Physics
Email: info@pleiadesonline.com
Rússia, Gatchina, Orlova Roshcha, 188300
S. Semenov
Konstantinov Petersburg Institute of Nuclear Physics
Email: info@pleiadesonline.com
Rússia, Gatchina, Orlova Roshcha, 188300
M. Bedrina
St. Petersburg State University
Email: info@pleiadesonline.com
Rússia, St. Petersburg
A. Titov
Konstantinov Petersburg Institute of Nuclear Physics
Email: info@pleiadesonline.com
Rússia, Gatchina, Orlova Roshcha, 188300
