@article{oai:kanazawa-u.repo.nii.ac.jp:00010485,
 author = {井田, 朋智 and 遠藤, 一央 and 須原, 正彦 and Ida, Tomonori and Endo, Kazunaka and Suhara, Masahiko and Kenmotsu, Motoko and Honda, Kenji and Kitagawa, Susumu and Kawabe, Hiroyuki},
 issue = {9},
 journal = {Bulletin of the Chemical Society of Japan},
 month = {Jan},
 note = {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., 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},
 pages = {2061--2065},
 title = {Analysis of 109Ag MAS NMR chemical shieldings observed in Ag(x)Cu(1- x)I crystals},
 volume = {72},
 year = {1999}
}