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A Xanes Study of Square Copper(II) Complexes

Published online by Cambridge University Press:  06 March 2019

Hisanobu Wakita ,
Toshio Yamaguchi ,
Hirohiko Adachi ,
Manabu Fujiwara  and
Seiichi Yamashita
Hisanobu Wakita
Affiliation:
Department of Chemistry, Fukuoka University, Fukuoka, Japan
Toshio Yamaguchi
Affiliation:
Department of Chemistry, Fukuoka University, Fukuoka, Japan
Hirohiko Adachi
Affiliation:
Hyogo University of Teacher Education, Hyogo, Japan
Manabu Fujiwara
Affiliation:
Department of Material Chemistry, Ryukoku University, Shiga Japan
Seiichi Yamashita
Affiliation:
Asahi Chemical Industry Co., Ltd., Shizuoka, Japan
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Abstract

The XANES (X-ray absorption near edge structure) spectra of copper(II) ions in solid state and in solution of the square-planar copper(II) complexes with tetraaza macrocycles were measured. The peaks in the measured XANES spectra shifted to lower energy side with increasing the electron density of central copper(II) ions. The molecular orbital calculations for the complexes were carried out by the DV-Xα method, and the theoretical XANES spectra were estimated. The clear chemical shift obtained by this XANES study is evaluated and leads to a new concept of π-back donation between the copper(II) complexes and counter anion in aqueous solution.

Keywords

XANEStetraaza macrocyclescopper(II) complexesDV-Xα calculationchemical shift
Type
XIV. XRS Applications
Information
Advances in X-Ray Analysis , Volume 35 , Issue B: First Pacific-International Congress on X-ray Analytical Methods (PICXAM). Fortieth Annual Conference on Applications of X-ray Analysis, August 7-16, 1991 , 1991 , pp. 1115 - 1120
Copyright
Copyright © International Centre for Diffraction Data 1991

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References

1. Yamashita, S., Yanase, Y., Yamaguchi, T., and Wakita, H., Bull. Chem. Soc. Jpn., 62, 2902–2907(1989).10.1246/bcsj.62.2902Google Scholar
2. Yamashita, S., Taniguchi, K., Nomoto, S., Yamaguchi, T., and Wakita, H., X-Ray Spectroscopy, in press.Google Scholar