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XAFS study of the complex of an acetylacetonate-based ligand and copper ion

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Abstract

An X-ray absorption fine structure (XAFS) study has been conducted to reveal the local structure and chemical state of the copper in the complex of an acetylacetonate-based ligand (L1) and copper ion in acetonitrile solution. The copper ion in the complex was found to be divalent from the Cu K-edge X-ray absorption near-edge structure (XANES) spectrum. The FEFF (ab initio multiple scattering calculations of XAFS) were performed with the model compounds, whose structures were optimized by using MOPAC program with AM1 Hamiltonian. The comparative study of the experimental XAFS spectra and theoretical calculations from FEFF gave the perspectives for clarifying the coordination structure of the complex of L1 and copper ion.

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Acknowledgement

The authors would like to express their sincere acknowledgement to Dr. Hiroyuki Kageyama for the FEFF calculation and Dr. Hitoshi Kusama for his technical support on the MOPAC 2006 procedures.

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Authors and Affiliations

  1. Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka, 563-8577, Japan

    Hisanori Ando

  2. Department of Chemical Science and Engineering, Faculty of Engineering, Kobe University, 1-1 Rokkodai, Nada, Kobe, 657-8501, Japan

    Yuichi Ichihashi

  3. Health Research Institute, AIST, 1-8-31 Midorigaoka, Ikeda, Osaka, 563-8577, Japan

    Keiko Tawa

  4. Biomedical Research Institute, AIST, Tsukuba Central 5, 1-1-1 Higashi, Tsukuba, Ibaraki, 305-8565, Japan

    Mutsuo Tanaka

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  1. Hisanori Ando
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  2. Yuichi Ichihashi
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  3. Keiko Tawa
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  4. Mutsuo Tanaka
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Correspondence to Hisanori Ando.

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Ando, H., Ichihashi, Y., Tawa, K. et al. XAFS study of the complex of an acetylacetonate-based ligand and copper ion. J Incl Phenom Macrocycl Chem 71, 293–296 (2011). https://doi.org/10.1007/s10847-011-9964-z

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  • DOI: https://doi.org/10.1007/s10847-011-9964-z

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