Structural, theoretical and third order nonlinear optical properties of (E)-N’-(4-chlorobenzylidene)-4-fluorobenzohydrazide monohydrate

Simple item page
dc.contributor.authorLatha N.
dc.contributor.authorBarathi D.
dc.contributor.authorUthaya Kumar M.
dc.contributor.authorVennila K.N.
dc.contributor.authorVinitha G.
dc.contributor.authorMani R.
dc.contributor.authorLouhi-Kultanen M.
dc.contributor.authorBardak F.
dc.contributor.authorAtac A.
dc.contributor.authorKose E.
dc.date.accessioned2024-07-22T08:06:34Z
dc.date.available2024-07-22T08:06:34Z
dc.date.issued2021
dc.description.abstractThe 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.
dc.identifier.DOI-ID10.1080/15421406.2021.1913541
dc.identifier.issn15421406
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/13587
dc.language.isoEnglish
dc.publisherTaylor and Francis Ltd.
dc.subjectCrystal structure
dc.subjectDensity functional theory
dc.subjectOptical properties
dc.subjectQuantum chemistry
dc.subjectReliability analysis
dc.subjectSingle crystals
dc.subjectSurface analysis
dc.subjectX ray diffraction analysis
dc.subjectHirshfeld surfaces
dc.subjectHydrazone schiff base
dc.subjectPolarization coefficients
dc.subjectQuantum chemical computations
dc.subjectSingle crystal X-ray diffraction analysis
dc.subjectSpectral properties
dc.subjectThird order nonlinear optical properties
dc.subjectThird-order nonlinear optical
dc.subjectNonlinear optics
dc.titleStructural, theoretical and third order nonlinear optical properties of (E)-N’-(4-chlorobenzylidene)-4-fluorobenzohydrazide monohydrate
dc.typeArticle

Files

Collections

Scopus Koleksiyonu