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Analysis of 109Ag MAS NMR chemical shieldings observed in Ag(x)Cu(1- x)I crystals
https://doi.org/10.24517/00010472
https://doi.org/10.24517/00010472e4eaa746-9d2a-46bf-b17f-af97c4551722
名前 / ファイル | ライセンス | アクション |
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SC-PR-IDA-T-2061.pdf (633.5 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | Analysis of 109Ag MAS NMR chemical shieldings observed in Ag(x)Cu(1- x)I crystals | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
ID登録 | ||||||
ID登録 | 10.24517/00010472 | |||||
ID登録タイプ | JaLC | |||||
著者 |
Ida, Tomonori
× Ida, Tomonori× Endo, Kazunaka× Suhara, Masahiko× Kenmotsu, Motoko× Honda, Kenji× Kitagawa, Susumu× Kawabe, Hiroyuki |
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著者別表示 |
井田, 朋智
× 井田, 朋智× 遠藤, 一央× 須原, 正彦 |
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提供者所属 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 | |||||
書誌情報 |
Bulletin of the Chemical Society of Japan 巻 72, 号 9, p. 2061-2065, 発行日 1999-01-01 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0009-2673 | |||||
NCID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00580132 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1246/bcsj.72.2061 | |||||
出版者 | ||||||
出版者 | The Chemical Society of Japan = 日本化学会 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | 109Ag NMR signals in AgxCu1−xI crystals were shifted to a low field relative to that in solid AgI with decreasing the unit cell constant analogously to 63Cu MAS NMR signals reported in a previous study. The observed chemical shieldings were analysed using the results of Ag and Cu NMR shielding calculations of tetrahedral (Td) MI43− (M = Ag, Cu) complex ions with the ab initio GAUSSIAN 94 program using a double-ζ basis set for the Ag, Cu, and I atoms. Since the shift is explained dominantly by the paramagnetic shielding term, which depends on the d-hole and p-electron densities in Ag or Cu atoms for the MI43− complex ions, the observed 109Ag shift moved to a low field with decreasing the lattice constant, corresponding to an increase in the d-hole and p-electron densities for AgI43− (RAg–I = 2.68, 2.73, 2.77 Å) relative to the AgI43− (RAg–I = 2.81Å) ion. | |||||
権利 | ||||||
権利情報 | Copyright © The Chemical Society of Japan 日本化学会 | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
関連URI | ||||||
識別子タイプ | URI | |||||
関連識別子 | https://www.jstage.jst.go.jp/browse/bcsj | |||||
関連URI | ||||||
識別子タイプ | URI | |||||
関連識別子 | http://www.chemistry.or.jp/ |