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dc.contributor.authorSen P.
dc.contributor.authorKansız S.
dc.contributor.authorDege N.
dc.date.accessioned2020-06-21T09:05:38Z
dc.date.available2020-06-21T09:05:38Z
dc.date.issued2019
dc.identifier.issn2149-0120
dc.identifier.urihttps://doi.org/10.18596/jotcsa.483143
dc.identifier.urihttps://hdl.handle.net/20.500.12712/2363
dc.description.abstractSchiff bases have been used in biological processes and as chelating agents for several decades. In this work, a Schiff base compound was obtained with the condensation of o-phenylenediamine and an aromatic aldehyde. The structures were confirmed by spectroscopic methods. The molecular structure of the compound was also confirmed using X-ray single-crystal data. And also we made the parameters calculate theoretically the DFT-B3LYP method. For C30H36N2O2 compound, HOMO-LUMO and MEP surface were composed by making use of C30H36N2O2. The theoretical results are in a good concurrence with the empirical values. To analyze interactions existing in crystal packing, 2D fingerprint plots and Hirshfeld surface analyses were performed, signifying that the contributions are H???H (71.2%), H???C/C???H (18.7%) and C???C (4.8%) contacts. © 2019, Turkish Chemical Society. All rights reserved.en_US
dc.language.isoengen_US
dc.publisherTurkish Chemical Societyen_US
dc.relation.isversionof10.18596/jotcsa.483143en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectCrystal structureen_US
dc.subjectDFTen_US
dc.subjectFT-IRen_US
dc.subjectHirshfeld surfaceen_US
dc.subjectHOMO-LUMOen_US
dc.subjectMEPen_US
dc.subjectNMRen_US
dc.subjectSchiff baseen_US
dc.subjectSynthesisen_US
dc.subjectTheoretical calculationen_US
dc.titleSynthesis, molecular structure, hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol)en_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume6en_US
dc.identifier.issue2en_US
dc.identifier.startpage189en_US
dc.identifier.endpage200en_US
dc.relation.journalJournal of the Turkish Chemical Society, Section A: Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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