Catalytic Isomerization of Unprotected Mesoionic N‐Heterocyclic Olefins and Their Lewis Adducts

• Published in: European journal of organic chemistry Vol. 2022; no. 35
• Main Authors: Qu, Zheng‐Wang, Zhu, Hui, Streubel, Rainer, Grimme, Stefan
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 20.09.2022
• Subjects: Adducts; Alkenes; Density functional calculations; Isomerization; Lewis acid; Lewis acids; Mesoionic carbenes; N-Heterocyclic olefins; Reaction mechanism

Recently, novel C5‐position‐unprotected mesoionic N‐heterocyclic olefins (mNHOs) demonstrated interesting reactivity with various Lewis acids during experiments. In this work, extensive DFT calculations show that the isomerization of such mNHOs to more Lewis‐basic mesoionic carbenes (MICs) can be ef...