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Structural, theoretical, and third-order nonlinear optical investigations of N’-[(E)-(4-bromophenyl)(phenyl)methylidene]–4-methylbenzenesulfonohydrazide
Ahamed S.R, , , Balakrishnan C,
Published in Informa UK Limited
Volume: 665
Issue: 1
Pages: 194 - 206
Single crystals of N’-[(E)-(4-bromophenyl) (phenyl) methylidene]–4-methylbenzenesulfonohydrazide (4BBTH), having potential applications in nonlinear electro optic field. The structure is elucidated by single crystal X-ray diffraction analysis. The functional groups are identified by FT-IR analysis. The band gap energy is estimated using diffuse reflectance data by the application of Kubelka–Munk algorithm. Third-order nonlinear optical properties of the grown crystal were derived by employing a single beam Z-scan technique. Theoretical calculations were performed using density functional theory (DFT) method. Estimated large first-order molecular hyperpolarizality of 9.79 times of urea, suggests a charge transfer atmosphere facilitating micro level nonlinearity.GRAPHICAL ABSTRACT (Figure presented.). © 2018, © 2018 Taylor & Francis Group, LLC.
About the journal
JournalMolecular Crystals and Liquid Crystals
PublisherInforma UK Limited
Open AccessNo