Mechanistic Insights into Palladium(II)-Catalyzed Carboxylation of Thiophene and Carbon Dioxide

Mechanistic Insights into Palladium(II)-Catalyzed Carboxylation of Thiophene and Carbon Dioxide

The mechanism in palladium-catalyzed carboxylation of thiophene and CO<sub>2</sub> is investigated using the density functional theory (DFT) calculations, including three consecutive steps of the formation of carbanion through breaking the C–H bond(s) via the palladium acetate, the elimi...

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Bibliographic Details
Main Authors: Qingjun Zhang, Youguang Ma, Aiwu Zeng
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Catalysts
Subjects:
transition metal
DFT
cyclic conformation
acyclic arrangement
Online Access:https://www.mdpi.com/2073-4344/12/6/654

Internet

https://www.mdpi.com/2073-4344/12/6/654

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