Computational study of homogenous gold-catalyzed oxime-oxime rearrangement: Balci-Guven rearrangement

Basit Öğe Kaydı
dc.authoridBasceken, Sinan / 0000-0002-6311-1918
dc.authorwosidBasceken, Sinan / AAI-4969-2021
dc.contributor.authorBasceken, Sinan
dc.date.accessioned2021-11-01T15:03:06Z
dc.date.available2021-11-01T15:03:06Z
dc.date.issued2020
dc.department[Belirlenecek]
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.
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.identifier.doi10.1007/s11224-020-01531-x
dc.identifier.endpage1776en_US
dc.identifier.issn1040-0400
dc.identifier.issn1572-9001
dc.identifier.issue5en_US
dc.identifier.scopus2-s2.0-85084088173
dc.identifier.scopusqualityQ2
dc.identifier.startpage1765en_US
dc.identifier.urihttps://doi.org/10.1007/s11224-020-01531-x
dc.identifier.urihttps://hdl.handle.net/11491/6966
dc.identifier.volume31en_US
dc.identifier.wosWOS:000528163100001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthor[Belirlenecek]
dc.language.isoen
dc.publisherSpringer/Plenum Publishers
dc.relation.ispartofStructural Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
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 rearrangement
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu