Comparison of Phosphonium and Sulfoxonium Ylides in Ru(II)-Catalyzed Dehydrogenative Annulations: A Density Functional Theory Study

Comparison of Phosphonium and Sulfoxonium Ylides in Ru(II)-Catalyzed Dehydrogenative Annulations: A Density Functional Theory Study

Density functional theory calculations have been performed to explore the detailed mechanism of a ruthenium-catalyzed dehydrogenative annulation between α-carbonyl phosphonium ylide (<b>A</b>) and sulfoxonium ylide (<b>B</b>). The proposed catalytic cycles consist of several...

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Bibliographic Details
Main Authors: Wei Zhou, Lei Zhang, Dan-Yang Liu, Xiaosi Ma, Jie Zhang, Jiajia Kang
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Molecules
Subjects:
ruthenium-catalyzed
C–H activation
annulation
ylide
reaction mechanism
DFT calculation
Online Access:https://www.mdpi.com/1420-3049/30/9/1883
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