Reactivity of heavier vinyl anions [(CH3)2-rfeti=E'(CH3)]- (E, E' = C, Si, Ge) toward carbon monoxide: A computational study

Basit Öğe Kaydı
dc.contributor.authorYıldız, Cem Burak
dc.contributor.authorScheschkewitz, David
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T08:21:40Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T08:21:40Z
dc.date.issued2017
dc.departmentAksaray Teknik Bilimler Meslek Yüksekokulu
dc.description.abstractThe structures of heavier vinyl anions [(CH3)2E=E'(CH3)]- (E, E' = C, Si, Ge) and their abilities to activate carbon monoxide were investigated by DFT. Particularly, heteronuclear species exhibit a strong influence of the position of the heavier of the two group 14 elements (E or E') with strongly differing singlet-triplet gaps as a measure of tetrylene character. The reactions of CSi and CGe (E' = Si, Ge) with CO proceed in a concerted manner via [1 + 2] or [2 + 2] cycloadditions to a variety of potential products, whereas those of positional isomers as well as digerma and sila-germa analogues occur in a stepwise fashion. The three-membered rings derived from tetrylene-like vinyl anions (E' = Si, Ge and E = C) are dominated by keto resonance structures, while an enol structure is observed for the product obtained from SiC. Allene-like isomers could only be optimized in case of E = Si, Ge. © 2017 American Chemical Society.
dc.description.sponsorshipFinancial support by the Aksaray University is acknowledged.
dc.identifier.doi10.1021/acs.organomet.7b00327
dc.identifier.endpage3042en_US
dc.identifier.issn0276-7333
dc.identifier.issue16en_US
dc.identifier.scopusqualityQ2
dc.identifier.startpage3035en_US
dc.identifier.urihttps://dx.doi.org/10.1021/acs.organomet.7b00327
dc.identifier.urihttps://hdl.handle.net/20.500.12451/2287
dc.identifier.volume36en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.relation.ispartofOrganometallics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleReactivity of heavier vinyl anions [(CH3)2-rfeti=E'(CH3)]- (E, E' = C, Si, Ge) toward carbon monoxide: A computational study
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
yildiz-cem burak-2017.pdf
Boyut:
1.68 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

Makale Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu