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ID 51059
file
creator
Muh. Nur Khoiru Wihadi
Hayashi, Akio
Ozeki, Tomoji
Ichihashi, Katsuya
Ota, Hiromi
subject
Polyoxometalate
Thermal migration
Preyssler-type phosphotungstate
abstract
Thermal migration of sodium cation in the cavity of Preyssler-type phosphotungstate is reported here. Heating of a Preyssler-type compound, [P5W30O110Na(side)(H2O)]14¹, in which a sodium cation occupies one of the two side cavities, at 300 °C forms a new compound, [P5W30O110Na(center)]14¹, 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 López 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.
description
This research was supported by the Furukawa Foundation for the Promotion of Technology, JSPS KAKENHI Grant Numbers JP18H02058 (Grant-in-aid for scientific research (B)) and JP19K05510 (Grant-in-aid for scientific research (C)), the Center for Functional Nano Oxide at Hiroshima University, and JSPS Core-to-Core program. MNKW thankfully acknowledges the financial support from the Indonesia Endowment Fund for Education (LPDP), Ministry of Finance, Republik Indonesia for PhD scholarship (PRJ-36/LPDP.3/2017).
journal title
Bulletin of the Chemical Society of Japan
volume
Volume 93
issue
Issue 3
start page
461
end page
466
date of issued
2020-01-11
publisher
Chemical Society of Japan
issn
0009-2673
1348-0634
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
author
rights
© 2020 The Chemical Society of Japan
This is not the published version. Please cite only the published version. この論文は出版社版ではありません。引用の際には出版社版をご確認、ご利用ください。
relation url
department
Graduate School of Engineering
Graduate School of Advanced Science and Engineering