Abstract
Fe 3+-doping at ∼10 mol% in aqueous medium during crystal growth by slow evaporation solution method in bis(thiourea)zinc(II) chloride (BTZC) leads to form a new compound C 2H 8Cl 2N 4S 2Zn 0.93Fe 0.07 (BTZCF) which crystallizes in orthorhombic structure with centrosymmetric space group Pnma though the parent compound BTZC crystallizes in noncentrosymmetric structure with space group Pn2 1a. The interesting feature observed in this new crystal is that though it crystallizes in centrosymmetric structure, it exhibits positive SHG result (weak signal), quite likely due to possible surface effects or internal stress. The calculated first-order hyperpolarizability is 1.457 × 10 −30 esu which is ∼5.5 times that of urea. Fe 3+-doping enhances the transmittance to a significant extent. Comparison of the thermal analysis results by DSC reveals the incorporation of dopant into the crystalline matrix. The high resolution XRD studies reveal that the crystalline quality is improved considerably when the doping level is reached to ∼10 mol%.
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