Growth, optical, mechanical and dielectric studies on NLO active pure and metal ion doped single crystals of bis-thiourea zinc chloride
Introduction
Research in organic and inorganic functionalized nonlinear optical materials plays a crucial role because of their molecular interactions, bond strength, high molecular polarizability, easy incorporation of ions in the lattice, etc. [1], [2]. In the recent years there has been a growing interest in nonlinear optical materials due to their effective usage in the field of electro-optical devices, data storage technology and optical signal processing [3], [4]. However, semi-organic single crystals are attracting great attention in the field of nonlinear optics because of their high optical nonlinearity, chemical flexibility of ions, thermal stability and excellent transmittance in the UV–visible region [5], [6], [7]. Among the various classes of semi-organic nonlinear optical materials, metal complexes of thiourea have received potential interest, because they can be effectively used as the better alternatives for KDP crystals in the frequency doubling process and laser fusion experiments [8], [9]. As thiourea molecules possess a large value of dipole moment, they can form a number of metal coordination compounds like zinc thiourea chloride (ZTC), bis-thiourea cadmium chloride (BTCC), zinc (tris) thiourea sulfate (ZTS), tris-thiourea copper chloride (TCC), etc. [10], [11], [12]. Among these bis-thiourea zinc chloride (BTZC) is a desirable candidate for electro-optic and second harmonic generation devices, in view of its low angular sensitivity and high molecular interaction with intense light [13]. The spectroscopy of Ni2+ doped nonlinear optical materials has received much attention in the recent past in view of their enhancement in optical properties and molecular interactions [14], [15]. Hence in the present investigation attempts are made to grow optically transparent pure and metal ion doped BTZC single crystals by the slow solvent evaporation method. The grown crystals have been subjected to single crystal X-ray diffraction studies, powder XRD analysis, UV–visible transmission spectral analysis, energy dispersive spectroscopy analysis (EDAX), Vicker's hardness test and dielectric characterization. The SHG property of the pure and metal ion doped BTZC single crystals was confirmed by performing Kurtz powder test.
Section snippets
Material synthesis
Bis-thiourea zinc chloride (BTZC) was synthesized by mixing aqueous solution of zinc chloride and thiourea (99% pure) in the molar ratio 1:2. The reaction of synthesis is described by the equation,ZnCl2+2CS(NH2)2→Zn[CS(NH2)2]2Cl2The synthesized salt of the material was further purified by successive re-crystallization process using de-ionized water as solvent.
Crystal growth
The homogeneous solution obtained from the purified salt of the material is allowed to evaporate at room temperature. By spontaneous
Single X-ray diffraction studies
The grown crystals were subjected to single crystal X-ray diffraction analysis using a Bruker Kappa APEX-2 diffractometer with MoKα (λ=0.7170 Å) radiation to determine the lattice parameters and structure. The study reveals that both the crystals are crystallized in orthorhombic structure with space group Pn21a [16]. The lattice parameters calculated for the pure BTZC in the present work are in good agreement with the literature report [17]. However, for the Ni2+ doped BTZC crystal, slight
Conclusion
Optically transparent, good quality pure and Ni2+ doped bis-thiourea zinc chloride bulk single crystals were grown from aqueous solution by the slow solvent evaporation technique. The title material belongs to orthorhombic crystal structure with space group Pn21a. The slight variation in the cell parameters of the doped crystal reveals the incorporation of Ni2+ metal ions in the crystal lattice of pure BTZC. The crystallinity of the grown crystal was examined by powder X-ray diffraction
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