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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.



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