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Cs solid-state NMR and density functional theory calculationsOkubo, Takahiro*; Okamoto, Takuya*; Kawamura, Katsuyuki*; Gu
gan, R.*; Deguchi, Kenzo*; Oki, Shinobu*; Shimizu, Tadashi*; Tachi, Yukio; Iwadate, Yasuhiko*
Journal of Physical Chemistry A, 122(48), p.9326 - 9337, 2018/12
Times Cited Count：14 Percentile：56.85(Chemistry, Physical)The structures of Cs adsorption on montmorillonite were investigated by the nuclear magnetic resonance (NMR) spectroscopy. The NMR spectra of Cs adsorbed on montmorillonite samples were measured under different Cs contents and relative humidity levels. NMR parameters were evaluated by the first principle calculations in order to identify the relationship between adsorbed Cs structures and NMR parameters. The comparisons between experimental and theoretical NMR spectra revealed that Cs is preferentially adsorbed at sites near Al for low Cs substituted montmorillonites, and that non-hydrated Cs present in partially Cs substituted samples, even after being hydrated under high relative humidity.
Okamoto, Takuya*; Okubo, Takahiro*; Iwadate, Yasuhiko*; Deguchi, Kenzo*; Shimizu, Tadashi*; Oki, Shinobu*; Tachi, Yukio
no journal, ,
The structures of Cs adsorbed on montmorillonite were investigated by Cs Magic Angle Spinning (MAS) NMR spectroscopy. The NMR spectra of Cs adsorbed on montmorillonite samples were measured under different relative humidity levels and were analyzed to evaluate the change in the structure of hydrated Cs sorbed on montmorillonite.
Okubo, Takahiro*; Tachi, Yukio
no journal, ,
The structures of Cs adsorption on montmorillonite were investigated by the nuclear magnetic resonance (NMR) spectroscopy. NMR parameters were evaluated by the first principle calculations in order to identify the relationship between adsorbed Cs structures and NMR parameters.
Nakajima, Katsuki*; Okubo, Takahiro*; Tachi, Yukio
no journal, ,
The structures of Cs adsorption on montmorillonite were investigated by the nuclear magnetic resonance (NMR) spectroscopy. The NMR spectra of Cs adsorbed on montmorillonite samples were measured under different Cs contents and relative humidity levels and were analyzed to evaluate the change in the structure of hydrated Cs sorbed on montmorillonite.
