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.authorwosidSerdaroğlu, Goncagül/I-6780-2016
dc.contributor.authorUludağ, Nesimi
dc.contributor.authorSerdaroğlu, Goncagül
dc.contributor.authorÇolak, Naki
dc.date.accessioned2022-05-11T14:31:00Z
dc.date.available2022-05-11T14:31:00Z
dc.date.issued2019
dc.departmentFakülteler, Fen Edebiyat Fakültesi, Kimya Bölümü
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]
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).
dc.identifier.endpage1226
dc.identifier.issn0019-4522
dc.identifier.issue9en_US
dc.identifier.startpage1221
dc.identifier.urihttps://hdl.handle.net/20.500.11776/7277
dc.identifier.volume96
dc.identifier.wosWOS:000491215800019
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.institutionauthorUludağ, Nesimi
dc.language.isoen
dc.publisherScientific Publ-India
dc.relation.ispartofJournal of the Indian Chemical Society
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectUleine
dc.subjectazocino[4,3-b]indole
dc.subjectFT-IR
dc.subjectNMR
dc.subjectNBO
dc.subjectConcise Total-Synthesis
dc.subjectOptical-Properties
dc.subjectComplexes
dc.subjectNmr
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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