Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crysta
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ORIGINAL PAPER
Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crystal EPR and Optical Studies A. Parthiban1
•
K. Arun Prasath Lingam2
•
S. Mangalaraj3 • P. Muthukrishnan4
•
M. Surendiran5
Received: 10 April 2020 / Accepted: 22 September 2020 Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract Single crystal electron paramagnetic resonance (EPR), powder X-ray diffraction (XRD), Fourier transform-infrared (FTIR) 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 b2 = 0.765 and e2 = 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. Keywords Mono crystal Cu(II) complex Hyperfine Spin-hamiltonian parameters EPR spectrometry
Introduction
Electronic supplementary material The online version of this article (https://doi.org/10.1007/s10876-020-01902-8) contains supplementary material, which is available to authorized users. & A. Parthiban [email protected] & K. Arun Prasath Lingam [email protected] & P. Muthukrishnan [email protected] 1
National Centre for Sustainable Coaster Management, Anna University Campus, Chennai 600025, India
2
Department of Chemistry, Kamaraj College, Thoothukudi 628003, India
3
Department of Chemistry, St. Joseph’s College (Autonomous), Tiruchirappalli 620002, India
4
Department of Chemistry, Faculty of Engineering, Karpagam Academy of Higher Education, Coimbatore 641021, India
5
Faculty of Arts and Science, Department of Chemistry, Vinayaka Mission’s Research Foundation, Chennai 603 104, India
The electron paramagnetic resonance (EPR) technique is used to study the paramagnetic ions in host lattices such as probes and gives valuable information about the site symmetry of transition metal ions [1]. The structural and spectral studies on metal complexes of carboxylic acids are of great interest since they exist in widely different structures and exhibit features such as metal–metal interaction, hydrogen bonding and thermal decomposition behavior [2, 3]. By introducing the paramagnetic impurity ion in the diamagnetic host lattice of single crystal has made significant changes in the optical, magnetic and transport properties of crystals [4–6]. The present study provides most precious information about the minute behavior of the paramagnetic ions in crys
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