Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System

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dc.contributor.authorBalaban Gunduzalp, Ayla
dc.contributor.authorColak, Naki
dc.contributor.authorAltiner, Saliha
dc.contributor.authorSahin, Zarife Sibel
dc.date.accessioned2021-11-01T14:58:26Z
dc.date.available2021-11-01T14:58:26Z
dc.date.issued2017
dc.department[Belirlenecek]
dc.description.abstractSchiff base titled as 2-[(2-methoxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carbonitrile was obtained by condensation of amine with 2-methoxybenzaldehyde. Imine compound was characterized by using elemental analysis, FT-IR (fourier transform infrared), NMR (nuclear magnetic resonance)-APT (attached proton test) techniques and X-ray diffraction analysis. X-ray studies reveal that singly crystals were obtained in triclinic system. The optimized structure, chemical shifts (H-1 and C-13-NMR) and geometrical parameters (bond lenghts and angles) of Schiff base were obtained by DFT (densital functional theory) with B3LYP (Becke's three parameter hybrid functional combined with the Lee-Yang-Parr correlation functional) using 6-311+G(2d,p) level of theory in Gaussian 09W software. The FMOs (frontier molecular orbitals) levels were also determined by this quantum set.
dc.description.sponsorshipHitit University Research Found [FEF19004.13.001]en_US
dc.description.sponsorshipOur study was funded by Hitit University Research Found Under Project No FEF19004.13.001. The authors acknowledge Scientific and Technological Research Application and Research Center, Sinop University, Turkey, for the use of the Bruker D8-QUEST diffractometer.en_US
dc.identifier.endpage265en_US
dc.identifier.issn2147-1762
dc.identifier.issue3en_US
dc.identifier.startpage255en_US
dc.identifier.urihttps://hdl.handle.net/11491/6643
dc.identifier.volume30en_US
dc.identifier.wosWOS:000418815100020
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.institutionauthor[Belirlenecek]
dc.language.isoen
dc.publisherGazi Univ
dc.relation.ispartofGazi University Journal Of Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectSchiff baseen_US
dc.subjectThiophene ringen_US
dc.subjectGewald methodsen_US
dc.subjectFMOsen_US
dc.titleSynthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System
dc.typeArticle

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