Journal
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Volume 93, Issue 3, Pages 461-466Publisher
CHEMICAL SOC JAPAN
DOI: 10.1246/bcsj.20190326
Keywords
Polyoxometalate; Thermal migration; Preyssler-type phosphotungstate
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Funding
- Furukawa Foundation for the Promotion of Technology
- JSPS KAKENHI [JP18H02058, JP19K05510]
- Center for Functional Nano Oxide at Hiroshima University
- JSPS
- Indonesia Endowment Fund for Education (LPDP), Ministry of Finance, Republik Indonesia [PRJ-36/LPDP.3/2017]
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Thermal migration of sodium cation in the cavity of Preyssler-type phosphotungstate is reported here. Heating of a Preyssler-type compound, [P5W30O110Na(side)(H2O)](14), in which a sodium cation occupies one of the two side cavities, at 300 degrees C forms a new compound, [P5W30O110 Na(center)](1)(4-), in which the sodium cation is encapsulated in the central cavity. Characterization by single crystal X-ray structure analysis, NMR spectroscopy, elemental analysis, IR, and ESI-MS confirmed the structure of the compound. The thermal displacement ellipsoid of the central sodium, estimated by the crystallographic study, is elongated along the direction perpendicular to the equatorial plane of the Preyssler molecule. These results confirmed prediction using DFT calculation by Lopez and Poblet (ref. 21, J. Am. Chem. Soc. 2007, 129, 12244.) that the most stable site for sodium is the central cavity with a slight shift from the center of the molecule.
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