Please use this identifier to cite or link to this item: https://hdl.handle.net/11499/58018
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dc.contributor.advisorTopal,Tufanen_US
dc.contributor.authorTuran, Sayed Amaruddinen_US
dc.date.accessioned2024-10-15T08:37:38Z-
dc.date.available2024-10-15T08:37:38Z-
dc.date.issued2024-
dc.identifier.urihttps://hdl.handle.net/11499/58018-
dc.description.abstractYapılan bu çalışmada, 4-kloroasetofenon ve 2-kloro-6-hidrazinopiridin reaktifleri kullanılarak daha önce sentezlenen [HL] ligandının yapısı teorik olarak incelenmiştir. Bileşiğin, 6-311G(d,p) baz seti kullanılarak Yoğunluk Fonksiyonel Teori (DFT)’ye dayalı ab-initio hesaplamaları sayesinde moleküler yapısal özellikleri, FT-IR, UV ve NMR verileri belirlenmiştir. Ayrıca, bu yöntemle yapının HOMO-LUMO analizleri, moleküler elektrostatik potansiyel (MEP) ve 2D kontur haritaları elde edilmiştir. Teorik ve deneysel veriler karşılaştırılmış ve çok bir korelasyon sergiledikleri belirlenmiştir.en_US
dc.description.abstractIn this study, the structure of the [HL] ligand, which was previously synthesized using 4-chloroacetophenone and 2-chloro-6-hydrazinopyridine reagents, was theoretically examined. The molecular structural properties, FT-IR, UV and NMR data of the compound were determined through ab-initio calculations based on Density Functional Theory (DFT) using the 6-311G(d,p) basis set. Additionally, HOMO-LUMO analyses, molecular electrostatic potential (MEP) and 2D contour maps of the structure were obtained with this method. Theoretical and experimental data were compared and it was determined that they showed a high correlation.en_US
dc.language.isotren_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectHidrazonen_US
dc.subjectpiridinen_US
dc.subjectkarakterizasyonen_US
dc.subjectteorik hesaplamaen_US
dc.subjectHydrazoneen_US
dc.subjectpyridineen_US
dc.subjectcharacterizationen_US
dc.titleHidrazon türevi bileşiğin spektroskopik özelliklerinin teorik olarak incelenmesien_US
dc.title.alternativeTheoretical examination of spectroscopic properties of hydrazone derivative compounden_US
dc.typeMaster Thesisen_US
dc.departmentPAÜ, Enstitüler, Fen Bilimleri Enstitüsüen_US
dc.relation.publicationcategoryTezen_US
dc.identifier.yoktezid900025en_US
dc.contributor.affiliationPamukkale Üniversitesien_US
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.languageiso639-1tr-
item.openairetypeMaster Thesis-
item.fulltextWith Fulltext-
item.cerifentitytypePublications-
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