Theoretical Study of Synthesis of 1,3-dibromonaphthanlene

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dc.contributor.authorGokalp, Faik
dc.contributor.authorErenler, Ramazan
dc.date.accessioned2020-06-25T18:29:20Z
dc.date.available2020-06-25T18:29:20Z
dc.date.issued2018
dc.departmentKırıkkale Üniversitesi
dc.descriptionErenler, Ramazan/0000-0002-0505-3190
dc.description.abstractNaphthalene derivatives have been attracted the interest for synthesis of natural products having biological properties. Elimination reaction of tetrabromonaphthalene (1) resulted in the formation of 1,3-dibromonaphthalene (2) rather than 1,4-dibomonaphthalene (3). This phenomenon was explained by theoretical investigation. The physical properties and optimization of tetrabromonaphthalene (1), 1,3-dibromonaphthalene (2) and 1,4-dibromonaphthalene (3) were evaluated by B3lyp/6-31+G(d,p) method. Due to the HOMO-LUMO gap of 1,3-dibromonaphthalene (2) was higher than that of the 1,4-dibomonaphthalene (3), the formation of 1,3-dibromonaphthalene (2) was favorable. Moreover, Higher dipole moment of 1,3-dibromonaphthalene (2) than 1,4-dibomonaphthalene (3) supported the synthesis of 1,3-dibromonaphthalene (2) properly.en_US
dc.description.sponsorshipKirikkale UniversityKirikkale University [BAP-2016/016]en_US
dc.description.sponsorshipThe authors report no conflict of interests in this work. Thanks for the contribution of Kirikkale University to be used Gaussian program (BAP-2016/016).en_US
dc.identifier.citationclosedAccessen_US
dc.identifier.endpage1092en_US
dc.identifier.issn0253-5106
dc.identifier.issue6en_US
dc.identifier.scopus2-s2.0-85055273960
dc.identifier.scopusqualityQ3
dc.identifier.startpage1089en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12587/7246
dc.identifier.volume40en_US
dc.identifier.wosWOS:000447267200012
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherChem Soc Pakistanen_US
dc.relation.ispartofJournal Of The Chemical Society Of Pakistan
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBrominationen_US
dc.subjectNaphthaleneen_US
dc.subjectTheoretical calculationen_US
dc.titleTheoretical Study of Synthesis of 1,3-dibromonaphthanleneen_US
dc.typeArticle

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