Structure analysis of metal(I) halides mixed crystal by 63Cu MAS NMR and X-ray diffraction methods. I. CuxAg1-xI crystal.
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概要
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<SUP>63</SUP>Cu MAS NMR and X-ray diffraction methods have been used to perform a structure analysis of mixed crystals, Cu<I><SUB>x</SUB></I>Ag<SUB>1−<I>x</I></SUB>I. The mixed crystals were prepared and analyzed as a complete solid-solution and a core-shell type of crystal by the X-ray diffraction method. <SUP>63</SUP>Cu signals in the complete solid-solution shifted with broadening to a high field around 14–33 ppm relative to solid CuI, as the silver/copper ratio increased. The line width of the signal was 2-to 2.5-times as broad as that for solid CuI. On the othe hand, the signal in a core-shell type of crystal did not shift much and the line width was much the same as that for CuI. The shifts and broad line widths in the complete solid-solution can be explained by considering components which involve the second-order quadrupolar coupling tensors. The quadrupolar coupling tensors are seen to be caused by changing from T<SUB>d</SUB> of –(CuI<SUB>4</SUB>)–spcies to its C<SUB>3v</SUB> and C<SUB>2v</SUB> symmetries due to replacing Cu with Ag in the crystal.
- 公益社団法人 日本化学会の論文
著者
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Endo Kazunaka
Tsukuba Research Laboratory Mitsubishi Paper Mills Ltd
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Fujito Teruaki
NM Group, Analytical Instrument Engineering Department, JEOL Ltd.
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- Structure analysis of metal(I) halides mixed crystal by 63Cu MAS NMR and X-ray diffraction methods. I. CuxAg1-xI crystal.