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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.identifier.issn0019-4522
dc.identifier.urihttps://hdl.handle.net/11491/6854
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.en_US
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.language.isoengen_US
dc.publisherScientific Publ-Indiaen_US
dc.relation.ispartofJournal Of The Indian Chemical Societyen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
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 propertiesen_US
dc.typearticleen_US
dc.department[Belirlenecek]en_US
dc.identifier.volume96en_US
dc.identifier.issue9en_US
dc.identifier.startpage1221en_US
dc.identifier.endpage1226en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.department-temp[Uludag, Nesimi] Namik Kemal Univ, Dept Chem, TR-59030 Tekirdag, Turkey; [Serdaroglu, Goncagul] Sivas Cumhuriyet Univ, Fac Educ, TR-58140 Sivas, Turkey; [Colak, Naki] Hitit Univ, Fac Sci & Arts, Dept Chem, TR-19030 Corum, Turkeyen_US
dc.contributor.institutionauthor[Belirlenecek]
dc.authorwosiduludag, Nesimi / AAB-1353-2020
dc.authorwosidSerdaroglu, Goncagul / I-6780-2016
dc.description.wospublicationidWOS:000491215800019en_US


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