Redox Active vs Redox Neutral in Ru/Pd-Catalyzed Sulfonylation: Theoretical Insights into Structure–Activity Relationship between Metal Centers and Regio-Selectivity

• Published in: Journal of organic chemistry Vol. 89; no. 24; pp. 18131 - 18141
• Main Authors: Lin, Qingqing, Lv, Huan, Lu, Yu, Yang, Chengkai, Yu, Yan, Liu, Zheyuan
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 20.12.2024
• Subjects: organic chemistry; palladium; reaction mechanisms; ruthenium; structure-activity relationships; sulfonylation

The structure–activity relationship between the metal center and regio-selectivity is persistently a pivotal scientific issue. To address this, we select the 2-phenylpyridine sulfonylation reactions catalyzed by ruthenium and palladium as research subjects. An extensive theoretical study has been co...