异构化
化学
钌
催化作用
选择性
Noyori不对称加氢
光化学
密度泛函理论
溶剂
溶剂效应
二醇
氢
有机化学
组合化学
计算化学
作者
Kwihwan Park,Shinichi Furusato,Chikara Furugen,Takashi Ikawa,Tsuyoshi Yamada,Hironao Sajiki
标识
DOI:10.1002/ajoc.202200263
摘要
Abstract In this study, ruthenium‐on‐carbon‐catalyzed hydrogenation of CBDK was developed for the production of cis‐ CBDO under solvent‐free conditions. Isomerization using a ruthenium catalyst and hydrogen gas may improve the selective formation of cis ‐CBDO. Moreover, the reaction mechanisms for cis‐ selectivity was proposed based on density functional theory (DFT) calculations.
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