Application of a Novel Symmetric Benzophenone Derivative Schiff Base in Lyotropic Media and Spectroscopic Properties

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dc.contributor.authorSuhta, A.
dc.contributor.authorMeral, S.
dc.contributor.authorAgar, A. A.
dc.contributor.authorSutay, B.
dc.contributor.authorLopez, E. M. Vazquez
dc.contributor.authorCoruh, U.
dc.date.accessioned2025-03-23T19:31:42Z
dc.date.available2025-03-23T19:31:42Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractThe structural and spectroscopic properties of a new -ONNO- type Schiff base were analyzed. The compound 6,6 '-((1E,1 ' E)-(hexane-1,6-diylbis(azaneylylidene))bis(phenylmethaneylylidene))bis(3-(octyloxy) phenol) was synthesized by condensing a diamine and a ketone in tetrahydrofuran, resulting in a high yield. The symmetric Schiff base, in which both amine ends converted to the imine structure, was examined using XRD, NMR, IR and UV-Vis spectroscopies. The theoretical calculations were done successfully using DFT approach at 6-31G(d,p) basis set to investigate the properties of the title compound that cannot be studied by experimental analyses. NBO analysis was used to study hyper-conjugative interactions involving the overlap of sigma or pi electrons and electron density between adjacent atoms and to determine the stabilization energy. The DFT theoretical parameters and XRD experimental parameters were compared and showed good agreement. 2D fingerprint and 3D Hirshfeld surface plots were obtained to determine the intermolecular interactions. The features of the optimized structure were investigated by several analyses such: NBO, Frontier molecular orbitals, ESP, MEP and ECT which cannot be studied by theoretical methods. The UV-Vis spectroscopy was used to investigate the interaction of the synthesized benzophenone Schiff base compound with lyotropic media. The synthesized compound is significantly compatible with the prepared lyotropic medium due to its highly symmetrical and amphiphilic structure.
dc.description.sponsorshipSinop University Scientific Research Coordination Unit [BMYO-1901-21-001]; National Center for High-Performance Computing (UHeM) [1010722021]
dc.description.sponsorshipThis work was supported by the Sinop University Scientific Research Coordination Unit. (Project Number BMYO-1901-21-001). Computing resources used in this work were provided by the National Center for High-Performance Computing (UHeM) under grant number 1010722021.
dc.identifier.doi10.1134/S0022476624110167
dc.identifier.endpage2316
dc.identifier.issn0022-4766
dc.identifier.issn1573-8779
dc.identifier.issue11
dc.identifier.scopus2-s2.0-85211185472
dc.identifier.scopusqualityQ3
dc.identifier.startpage2295
dc.identifier.urihttps://doi.org/10.1134/S0022476624110167
dc.identifier.urihttps://hdl.handle.net/11486/5341
dc.identifier.volume65
dc.identifier.wosWOS:001376818100011
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherPleiades Publishing Inc
dc.relation.ispartofJournal of Structural Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectSchiff base
dc.subjectHirshfeld surface
dc.subjectXRD
dc.subjectDFT calculations
dc.subjectNBO
dc.subjectlyotropic liquid crystal
dc.titleApplication of a Novel Symmetric Benzophenone Derivative Schiff Base in Lyotropic Media and Spectroscopic Properties
dc.typeArticle

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