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Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crystal EPR and Optical Studies

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Abstract

Single crystal electron paramagnetic resonance (EPR), powder X-ray diffraction (XRD), Fourier transform-infrared (FT-IR) and UV–Visible (UV–Vis) spectroscopy studies of Cu(II) doped in hexaaquazinc(diaquabismalonto)zincate (HZDMZ) have been investigated at room temperature. Angular variation of copper hyperfine lines in the three orthogonal planes shows the presence of a single site in substitutional position, with spin Hamiltonian parameters calculated from EPR spectra are gxx = 2.3940; gyy = 2.0919; g-zz = 2.0700; A–xx = 13.85 mT; Ayy = 1.79 mT; Azz = 1.39 mT. Molecular orbital coefficients β2 = 0.765 and ε2 = 0.275 have been calculated, which reveal a moderately covalent metal–ligand bond. Optical and EPR data have been collaborated to obtain crystal field parameters, admixture and molecular orbital coefficients. Powder XRD, FT-IR and UV–Vis data confirms the structure of host complex and presence of the dopant.

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Acknowledgements

The authors thank the Pondicherry University for its central instrumentation facility.

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Authors and Affiliations

  1. National Centre for Sustainable Coaster Management, Anna University Campus, Chennai, 600025, India

    A. Parthiban

  2. Department of Chemistry, Kamaraj College, Thoothukudi, 628003, India

    K. Arun Prasath Lingam

  3. Department of Chemistry, St. Joseph’s College (Autonomous), Tiruchirappalli, 620002, India

    S. Mangalaraj

  4. Department of Chemistry, Faculty of Engineering, Karpagam Academy of Higher Education, Coimbatore, 641021, India

    P. Muthukrishnan

  5. Faculty of Arts and Science, Department of Chemistry, Vinayaka Mission’s Research Foundation, Chennai, 603 104, India

    M. Surendiran

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Parthiban, A., Lingam, K.A.P., Mangalaraj, S. et al. Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crystal EPR and Optical Studies. J Clust Sci 32, 1401–1409 (2021). https://doi.org/10.1007/s10876-020-01902-8

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