Relationships between chemical shift and structure of Cs absorbed on clay mineral

Takei, Koyo*; Okubo, Takahiro*; Tachi, Yukio ; Fukatsu, Yuta

Cs adsorption sites on vermiculite clays were investigated by $^{133}$ Cs magic-angle-spinning nuclear magnetic resonance (MAS NMR) and theoretical $^{133}$ Cs chemical shift calculations. A partially Cs exchanged vermiculite sample was prepared. Three peaks on $^{133}$ Cs MAS NMR spectra were experimentally observed. However, Cs absorption sites were not assigned to these peaks. A molecular model of fully Cs exchanged vermiculite was built to obtain $^{133}$ Cs chemical shift theoretically by GIPAW method. Calculated $^{133}$ Cs chemical shift ranged 23 to 47 ppm, which corresponds to the peak of the lowest field side. Detailed relationships between structure and $^{133}$ Cs chemical shifts were investigated from Cs position and vermiculite layer structure.

Language	:	Japanese
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Meeting title	:	第58回NMR討論会(2019)
Held date	:	2019/11
Location (city)	:	川崎
Location (country)	:	日本
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Keywords	:	133Cs NMR; 粘土鉱物; GIPAW計算
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Cooperating Institute	:	千葉大学

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Registration No. : BB20191017
JAEA Abstracts No. :
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