Synthesis and characterization of tetradentate benzophenone derivative Schiff base and properties in different lyotropic media

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dc.authoridSUTAY, BERKAY/0000-0003-4912-199X
dc.authoridVazquez-Lopez, Ezequiel M./0000-0002-6012-0931
dc.authoridSuhta, Abdurrahman/0000-0003-4466-7862
dc.authoridCORUH, Ufuk/0000-0002-8007-4629
dc.contributor.authorSuhta, Abdurrahman
dc.contributor.authorMeral, Seher
dc.contributor.authorAgar, Aysen Alaman
dc.contributor.authorSutay, Berkay
dc.contributor.authorLopez, Ezequiel Vazquez M.
dc.contributor.authorCoruh, Ufuk
dc.date.accessioned2025-03-23T19:34:44Z
dc.date.available2025-03-23T19:34:44Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractA new Schiff base ligand of 6,6 & PRIME;-(1Z,1 & PRIME;Z)-(butane-1,4-diylbis(azanylyidene))bis (phenylmethanylylidene))bis(3-octyloxy) phenol) was synthesized and characterized using XRD and different spectroscopic analyses (FTIR, H-1 NMR, C-13 NMR, and UV-Vis.) DFT/B3LYP/6-31G(d,p) level of theory was applied successfully to the present compound. Theoretically calculated parameters of the synthesized compound were compared with the experimentally obtained results. The optimized structure has been investigated using the same level of theory for various studies, including frontier molecular orbital analysis, molecular electrostatic potential, chemical reactivity indexes, natural bond orbital analysis, electrostatic potential, and the electrophilicity-based charge transfer with DNA bases.
dc.description.sponsorshipNational Center for High Performance Computing (UHeM) [1010722021]; Ondokuz Mayis University Scientific Research Coordination Unit [PYO.FEN.1908.22.006]
dc.description.sponsorshipComputing resources used in this work were provided by the National Center for High Performance Computing (UHeM) under grant number 1010722021. This work was supported by Ondokuz Mayis University Scientific Research Coordination Unit. (Project Number PYO.FEN.1908.22.006)
dc.identifier.doi10.1080/15421406.2023.2243431
dc.identifier.endpage131
dc.identifier.issn1542-1406
dc.identifier.issn1563-5287
dc.identifier.issue2
dc.identifier.scopus2-s2.0-85167510431
dc.identifier.scopusqualityQ4
dc.identifier.startpage114
dc.identifier.urihttps://doi.org/10.1080/15421406.2023.2243431
dc.identifier.urihttps://hdl.handle.net/11486/5723
dc.identifier.volume768
dc.identifier.wosWOS:001044086000001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofMolecular Crystals and Liquid Crystals
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectDFT calculations
dc.subjectNBO
dc.subjectSchiff base
dc.subjectspectra and structure
dc.subjectXRD
dc.subject>
dc.titleSynthesis and characterization of tetradentate benzophenone derivative Schiff base and properties in different lyotropic media
dc.typeArticle

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