An efficient method for the azocino[4,3-b]indole framework of strychnos alkaloids: OFT investigations on the electronic and spectroscopic properties

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dc.authorwosiduludag, Nesimi / AAB-1353-2020
dc.authorwosidSerdaroglu, Goncagul / I-6780-2016
dc.contributor.authorUludag, Nesimi
dc.contributor.authorSerdaroglu, Goncagul
dc.contributor.authorColak, Naki
dc.date.accessioned2021-11-01T15:02:55Z
dc.date.available2021-11-01T15:02:55Z
dc.date.issued2019
dc.department[Belirlenecek]
dc.description.abstractTetracyclic 1,5-methanoazocino[4,3-b]indole (2) was achieved via a new synthetic approach for the synthesis of related strychnos alkaloids. These products embody the ABCD-ring system associated with the title alkaloids, as well as a one-pot construction of the ABCD ring system using tetrachloro-1,4-benzoquinone and tetrafluoro-1,4-benzoquinone, were involved as key steps. Also, the DFT-based quantum chemical calculations have been performed to evaluate the structural, electronic, and spectroscopic properties of the compound. PES (potential energy surface) scan revealed three stable conformers of the compound. The calculated FT-IR and NMR spectral data were compared with the corresponding observed values for the most stable conformer of the compound. Frontier Molecular Orbital analysis has revealed the chemical reactivity tendency and sites of the compound.
dc.description.sponsorshipSivas Cumhuriyet University, Scientific Research Projects Department [CUBAP: E T-072]en_US
dc.description.sponsorshipThis work was supported by Sivas Cumhuriyet University, Scientific Research Projects Department (Grant No. CUBAP: E T-072). All calculations have been carried out at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e -Infrastructure).en_US
dc.identifier.endpage1226en_US
dc.identifier.issn0019-4522
dc.identifier.issue9en_US
dc.identifier.startpage1221en_US
dc.identifier.urihttps://hdl.handle.net/11491/6854
dc.identifier.volume96en_US
dc.identifier.wosWOS:000491215800019
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.institutionauthor[Belirlenecek]
dc.language.isoen
dc.publisherScientific Publ-India
dc.relation.ispartofJournal Of The Indian Chemical Society
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectUleineen_US
dc.subjectazocino[4,3-b]indoleen_US
dc.subjectFT-IRen_US
dc.subjectNMRen_US
dc.subjectNBOen_US
dc.titleAn efficient method for the azocino[4,3-b]indole framework of strychnos alkaloids: OFT investigations on the electronic and spectroscopic properties
dc.typeArticle

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