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Investigations of the EPR parameters for Cu2+ in [Cu(ipt)(dap)H2O] n •nH2O

  • Structure and Properties of Coordination Compounds
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Abstract

The electron paramagnetic resonance (EPR) parameters (g factors and hyperfine structure constants) for Cu2+ in [Cu(ipt)(dap)H2O] n •nH2O (ipt is isophthalic acid, dap–1,3-diaminopropane) are theoretically investigated from the high order perturbation formulas of these parameters for a 3d 9 ion in a rhombically elongated octahedron. The ligand orbital and spin-orbit coupling contributions are included from the cluster approach because of strong covalency of the system. The nearly axial anisotropies of the g factors and hyperfine structure constants are correlated to the significant elongation distortion of the five-fold coordinated Cu2+ (in a distorted square pyramidal [CuN2O3] group). Nevertheless, the perpendicular anisotropies arising from the nonequivalent planar ligands are largely concealed by the experimental uncertainties. The theoretical analysis of the EPR behaviours for [Cu(ipt)(dap)H2O] n •nH2O would be helpful to understand the local structures and properties of this and relevant systems.

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Authors and Affiliations

  1. Department of Applied Physics, School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu, 610054, P. R. China

    Y.-K. Cheng, S.-Y. Wu, C.-C. Ding, G.-L. Li & M.-Q. Kuang

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  1. Y.-K. Cheng
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  2. S.-Y. Wu
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  3. C.-C. Ding
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  4. G.-L. Li
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  5. M.-Q. Kuang
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Correspondence to Y.-K. Cheng.

Additional information

Original Russian Text © 2015 Y.-K. Cheng, S.-Y. Wu, C.-C. Ding, G.-L. Li, M.-Q. Kuang.

The text was submitted by the authors in English. Zhurnal Strukturnoi Khimii, Vol. 56, No. 8, pp. 1575-1580, December, 2015.

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Cheng, YK., Wu, SY., Ding, CC. et al. Investigations of the EPR parameters for Cu2+ in [Cu(ipt)(dap)H2O] n •nH2O. J Struct Chem 56, 1514–1519 (2015). https://doi.org/10.1134/S0022476615080089

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  • DOI: https://doi.org/10.1134/S0022476615080089

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