A NEW EVALUATION FOR X-RAY ABSORPTION SPECTRA IN THE XANES REGION

被引:0
作者
Wakita, Hisanobu [1 ]
Yamaguchi, Toshio [1 ]
Fujiwara, Manabu [1 ]
Yamashita, Seiichi [1 ]
机构
[1] Fukuoka Univ, Fac Sci, Dept Chem, Jonan Ku, Fukuoka 81401, Japan
关键词
XANES; macrocycles; copper(II) complex; DV-X alpha;
D O I
10.2116/analsci.7.Supple_521
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The electronic states of copper(II) ions containing the square-planar tetraaza and macrocyclic copper(II) complexes were measured in solid state by means of X-ray absorption near edge structure(XANES) The peaks in the measured XANES spectra shifted to lower energy side with increasing electron density of a central copper(II) ion. The molecular orbital calculations for the complexes was carried out by the DV-X method, and the theoretical XANES spectra were estimated. The chemical shift using XANES spectra was evaluated by this work.
引用
收藏
页码:521 / 522
页数:2
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