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Updated: Jul 19, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
19:58

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions

Published on: July 30, 2017

DFTは,パラジウムによって触媒化されたアリラティブ・ディアロマチゼーションのメカニズムに関する研究を行っています

Alireza Ariafard1, Zhenyang Lin

  • 1Department of Chemistry, Faculty of Science, Central Tehran Branch, Islamic Azad University, Felestin Square, Tehran, Iran.

Journal of the American Chemical Society
|September 28, 2006
PubMed
まとめ

密度関数理論の計算により,パラジウム触媒によるベンジル/アリル結合のメカニズムが明らかになった. 中間物質 (エータ 3 - ベンジル) エータ 1 - アリル) Pd PH 3 は,還元性除去により,淡香化製品の形成を促します.

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An allyl group is a three-carbon conjugated system where the sp³-hybridized allylic carbon is bonded to a CH=CH2 group via a single bond. Allyl anions can be obtained by treating propene with a strong base that can deprotonate methyl groups. Allyl cations are formed as intermediates during substitution reactions involving allylic halides. In both cases, the hybridization of the allylic carbon changes from sp3 to sp2, giving rise to a carbon chain with three sp2-hybridized carbons, each with an...
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