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Synthesize of an Azo Compound: Investigation its Optical Nonlinear Properties and DFT Study
Sadiq M H Ismael1, Numan S Hashim2, F A Al-Saymari2
1Department of Chemistry, College of Education for Pure Sciences, University of Basrah, Basrah, 61001, Iraq.
Abstract:
In the present work, a diazonium salt is prepared by a diazonium reaction of sulfamerazine in the presence of aqueous hydrochloric acid and sodium nitrate. Structural confirmation of azo compounds synthesize is achieved by mass spectrometry, infrared spectroscopy, and 1H, 13C nuclear magnetic resonance. The sample geometry is derived using Density Functional Theory (DFT) and DT-DFT applied to the basis set B3LYPL6-311 + G(d,p). An investigation is conducted on the optical nonlinear (ONL) properties of the azo compounds formed under the excitation with a low power 532 nm laser beam using diffraction patterns (DPs) and a typical Z-scan combined with optical limiting. The Fresnel-Kirchhoff integral provides numerically obtained boundary conditions in the sense of experimentally obtained values. As high as 2 × 10-7 cm2/W of nonlinear refractive index (NLRI), n2, 1.24 × 10-3 cm/W of the nonlinear absorption coefficient (NLAC), β, and 15.5 mW of the optical limiting (OL) threshold, TH, are obtained.
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