The synthesis of some new imidazole and triazole derivatives: crystal Structure and DFT-TDDFT investigation on electronic structure

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dc.authoridDegirmencioglu, Ismail/0000-0002-7964-0427
dc.contributor.authorSancak, Kemal
dc.contributor.authorUnver, Yasemin
dc.contributor.authorTanak, Hasan
dc.contributor.authorDegirmencioglu, Ismail
dc.contributor.authorDugdu, Esra
dc.contributor.authorEr, Mustafa
dc.contributor.authorIsyik, Samil
dc.date.accessioned2024-09-29T15:51:15Z
dc.date.available2024-09-29T15:51:15Z
dc.date.issued2010
dc.departmentKarabük Üniversitesien_US
dc.description.abstractA series of new N'-3-(1H-imidazol-1-yl)propylcarbamoyl-4-halogenebenzo hydrazonate (3a-b) were obtained by reaction Ethyl 2-((4-halogene phenyl) (ethoxy) methylene) hydrazinecarboxylate (1) and N-(3-aminopropyl)imidazole (2) at 120-140 A degrees C. Compounds (4a-b) were obtained by the reaction compound 1 and N-(3-aminopropyl)imidazole (2) at 160-180 A degrees C. The structures of compounds 3,4 have been inferred through UV-Vis, IR, H-1/C-13 NMR, mass spectrometry, elemental analyses, and X-ray crystallography. DFT level 6-31G (d) calculations provided structural information. The electronic structure of compound 3a has been studied by DFT level 6-31G (d) calculations using the X-ray data. The results are accordance with X-ray data.en_US
dc.description.sponsorshipKaradeniz Technical University [2007.111.002.11]; scientific and technological research council (TUBITAK) of Turkey [107T065]en_US
dc.description.sponsorshipThis study was supported by grants from Karadeniz Technical University (proje no: 2007.111.002.11) and the scientific and technological research council (TUBITAK proje no: 107T065) of Turkey.en_US
dc.identifier.doi10.1007/s10847-009-9714-7
dc.identifier.endpage334en_US
dc.identifier.issn1388-3127
dc.identifier.issn1573-1111
dc.identifier.issue3-4en_US
dc.identifier.scopus2-s2.0-77952883704en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage325en_US
dc.identifier.urihttps://doi.org/10.1007/s10847-009-9714-7
dc.identifier.urihttps://hdl.handle.net/20.500.14619/3966
dc.identifier.volume67en_US
dc.identifier.wosWOS:000277958600010en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofJournal of Inclusion Phenomena and Macrocyclic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject1, 2, 4-triazolesen_US
dc.subjectImidazoleen_US
dc.subjectDFT calculationsen_US
dc.subjectUV-Visen_US
dc.subjectX-ray crystallographyen_US
dc.titleThe synthesis of some new imidazole and triazole derivatives: crystal Structure and DFT-TDDFT investigation on electronic structureen_US
dc.typeArticleen_US

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