Browsing by Author "Vennila K.N."

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    Structural, theoretical and third order nonlinear optical properties of (E)-N’-(4-chlorobenzylidene)-4-fluorobenzohydrazide monohydrate
    (Taylor and Francis Ltd., 2021) Latha N.; Barathi D.; Uthaya Kumar M.; Vennila K.N.; Vinitha G.; Mani R.; Louhi-Kultanen M.; Bardak F.; Atac A.; Kose E.
    The title compound (E)-N’-(4-chlorobenzylidene)-4-fluorobenzohydrazide monohydrate (CBFBH) is a novel hydrazone Schiff base compound, synthesized and characterized by FTIR, 1H and 13C NMR, UV-Vis and single crystal X-ray diffraction analyses. Quantum chemical computations were performed by Density Functional Theory (DFT) with B3LYP/6-311G (d,p) level to study the structural and spectral properties of the synthesized compound. Reliability of the crystal structure was visualized by Hirshfeld surface analysis. Third-order nonlinear optical polarization coefficient was calculated by Z-scan technique. © 2021 Taylor & Francis Group, LLC.