The halogen effect on the ring-opening of germacyclopropylidenoids to germaallenes

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dc.contributor.authorYıldız, Cem Burak
dc.contributor.authorAzizoğlu, Akın
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T08:25:20Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T08:25:20Z
dc.date.issued2019
dc.departmentTeknik Bilimler Meslek Yüksekokulu
dc.description.abstractDensity functional theory calculations were employed to explore the ring-opening reaction mechanisms of mono germanium analogues of cyclopropylidenoids via Doering-Moore-Skattebøl method. The theoretical findings revealed that the stepwise fashion with the intermediacy of a free germacyclopropylidene is operative for the structure with germanium atom on the carbenic position (1). Moreover, the cyclopropylidene analogue (4) of the title structures proceeds via concerted manner for the corresponding ring-opening reaction. The calculated overall energy barrier to trigger the stepwise ring-opening reaction for 1 is strongly higher than the concerted fashion for 4. Additionally, the effect of halogens (X = F, Cl, Br) on the reaction mechanism were also investigated. The energy barriers for chlorine substituted precursors are found to be lower than the fluorine and bromine substituted forms. © 2019 ACG Publications. All rights reserved.
dc.identifier.doi10.25135/acg.oc.59.19.05.1297
dc.identifier.endpage119en_US
dc.identifier.issn1307-6175
dc.identifier.issue2en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage115en_US
dc.identifier.urihttps://dx.doi.org/10.25135/acg.oc.59.19.05.1297
dc.identifier.urihttps://hdl.handle.net/20.500.12451/3036
dc.identifier.volume12en_US
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherACG Publications
dc.relation.ispartofOrganic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectDFT
dc.subjectGermaallene
dc.subjectGermanoid
dc.subjectGermylene
dc.subjectReaction mechanism
dc.titleThe halogen effect on the ring-opening of germacyclopropylidenoids to germaallenes
dc.typeArticle

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