International Research Journal of Engineering and Technology (IRJET) e-ISSN: 2395-0056 Volume: 04 Special Issue: 09 | Sep -2017 www.irjet.net p-ISSN: 2395-0072 One Day International Seminar on Materials Science & Technology (ISMST 2017) 4 th August 2017 Organized by Department of Physics, Mother Teresa Women’s University, Kodaikanal, Tamilnadu, )ndia © 2017, IRJET | Impact Factor value: 6.171 | ISO 9001:2008 Certified Journal | Page 381 Nucleation kinetics and theoretical calculation of anorgano- metalliccadmium thiosemicarbazide bromide Hydrate (TSCCB) nonlinear optical single crystal M. Akilan 1 , R. Ragu 2 , A. Sybil Emarance 3 , J. P. Angelena 4 , J. Mary Linetand 5 , S. Jerome Das 6 1,2,3,4,5,6 Department of Physics, Loyola College, Nungambakkam, Chennai, India -------------------------------------------------------------------------***---------------------------------------------------------------------- Abstract - An organo-metallic compound, cadmium thio n grown from slow evaporation solution growth technique at room temperature. The cell dimensions were obtained by single X ray diffraction study and crystal system was confirmed as Triclinic. Nucleation parameters such as radius of critical nucleus, critical free energy change and interfacial tension were evaluated for the title compound and its growth condition was optimized. The dielectric studies of the sample were carried out at different temperatures in the frequency range from 50 Hz to 5 MHz.The nonlinear optical property was tested using Kurtz Perry powder technique and SHG efficiency was measured nearly same as that of KDP. Keywords: Crystal growth, Nucleation Kinetics, Slow evaporation solution growth technique, Thiosemicarbazide and Kurtz Perry powder technique 1. INTRODUCTION The search for new frequency conversion materials over the past decades has led to discovery of new class of semiorganic materials. Semiorganics include organic– inorganic salts and metal–organic coordination compounds. In the case of metal–organic coordination complexes, the organic ligand is usually more dominant in the NLO effect. As for the metallic part, focus is on the group (II B) metals, (Zn, Cd and Hg) as these compounds usually have a high transparency in the UV region, because of their closed d10 shell. Regarding the organic ligands, small-electron systems such as thiocyanate (SCN) − , urea [OC(NH2)2], and thiourea [SC(NH2)2] have been used with remarkable success[1-3]. Potential NLO materials like bis (thiourea) cadmium chloride (BTCC) [4], triallyl-thiourea cadmium chloride (ATCC) [4], thiosemicarbazide cadmium chloride Cd(NH2NHCSNH2)Cl2·H2O (TSCCC) [5,6] thiosemicarbazide cadmium bromide Cd(NH2NHCSNH2)Br2·H2O (TSCCB) exhibits a very significant SHG efficiency that of KDP by Kurtz Perry powder technique. TSCCB has been characterized by Wang et al. [7] and is shown to display an SHG efficiency, six times that of KDP. In this paper the results of dielectric studies and nucleation parameters such as radius of critical nucleus, critical free energy change and interfacial tension were evaluated for the title compound and its growth condition was optimized and discussed in detail. 2. SYNTHESIS AND GROWTH TECHNIQUE The cadmium thiosemicarbazide bromide has been synthesized by taking cadmium bromide and thiosemicarbazide in a 1:1 stoichiometric ratio. The calculated amount of cadmium bromide was first dissolved in deionized water. Then thiosemicarbazide was added to the solution slowly. Cadmium thiosemicarbazide bromide Hydrate crystal was synthesized according to the reaction. CdBr2+NH2-NH-CS-NH2→Cd ȋN(2-NH-CS-NH2) Br2 . H2O The priority of the synthesized crystal was improved by recrystallization processes. Photograph of grown TSCCB crystal is shown in Figure 1: (Inset). 3. SINGLE CRYSTAL XRD ANALYSIS The single crystal X-ray diffraction of the grown cadmium thiosemicarbazide bromide crystals were analyzed using ENRAF NONIUS CAD-4 diffractometer (graphite - monochromated, MoKȽ = Ͳ.͹ͳͲ͹͵ ÅȌ. The title material TSCCB crystallizes in monoclinic system with space group Ia, the lattice parameter values are a=7.058 Å, b=14.21 Å, c=ͺ.͸ͺ Å, Ⱦ=ͳͲͲ.ʹͲ°, V=ͺ͹ͻ Å 3 well matches with the reported one [7]. semicarbazide bromide (TSCCB) single crystal has bee