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dc.contributor.authorBasceken, Sinan
dc.date.accessioned2021-11-01T15:03:06Z
dc.date.available2021-11-01T15:03:06Z
dc.date.issued2020
dc.identifier.issn1040-0400
dc.identifier.issn1572-9001
dc.identifier.urihttps://doi.org/10.1007/s11224-020-01531-x
dc.identifier.urihttps://hdl.handle.net/11491/6966
dc.description.abstractTreatment of N-propargylated pyrrole aldoxime derivatives with gold-based catalyst unexpectedly resulted in oxime-oxime rearrangement, which led to ketoximes. This type of reorganization has not been previously observed in the literature and represents a new rearrangement called the Balci-Guven rearrangement. Based on the experimental findings, the proposed mechanistic pathway was studied. Density functional theory calculations employing wb97xd, m062x, and m06 hybrid functional methods were used to locate and discuss the energetics of the intermediates and the transition states of this rearrangement.en_US
dc.description.sponsorshipScientific Research Department (BAP) of Hitit UniversityHitit University [FEF.19001.18.004]en_US
dc.description.sponsorshipFinancial support from the Scientific Research Department (BAP, Project No. FEF.19001.18.004) of Hitit University is gratefully acknowledged.en_US
dc.language.isoengen_US
dc.publisherSpringer/Plenum Publishersen_US
dc.relation.ispartofStructural Chemistryen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectOxime-oxime rearrangementen_US
dc.subjectDensity functional theoryen_US
dc.subjectGold-catalyzed reactionen_US
dc.subjectAldoxime-ketoxime transformationen_US
dc.titleComputational study of homogenous gold-catalyzed oxime-oxime rearrangement: Balci-Guven rearrangementen_US
dc.typearticleen_US
dc.department[Belirlenecek]en_US
dc.authoridBasceken, Sinan / 0000-0002-6311-1918
dc.identifier.volume31en_US
dc.identifier.issue5en_US
dc.identifier.startpage1765en_US
dc.identifier.endpage1776en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.department-temp[Basceken, Sinan] Hitit Univ, Dept Chem, TR-19030 Corum, Turkeyen_US
dc.contributor.institutionauthor[Belirlenecek]
dc.identifier.doi10.1007/s11224-020-01531-x
dc.authorwosidBasceken, Sinan / AAI-4969-2021
dc.description.wospublicationidWOS:000528163100001en_US
dc.description.scopuspublicationid2-s2.0-85084088173en_US


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