A computational study of structures and catalytic activities of Hoveyda-Grubbs analogues bearing coumarin or isopropoxycoumarin moiety

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• 作者：B. Trzaskowski^a ; ^{trzask@cent.uw.edu.pl} ; K. Ostrowska^b
• 关键词：DFT ; Olefin metathesis ; Ruthenium ; Hoveyda-Grubbs catalyst ; Coumarins
• 刊名：Catalysis Communications
• 出版年：2017
• 出版时间：5 March 2017
• 年：2017
• 卷：91
• 期：Complete
• 页码：43-47
• 全文大小：546 K
• 卷排序：91

文摘

A series of Hoveyda-Grubbs-like catalysts substituted with coumarin derivatives is studied. Unsubstituted coumarin chelation of ruthenium is relatively weak. Selected isopropoxycoumarin derivatives of Ru complexes are good candidates for catalysts. Correlation between catalysts' initiation rates and RuO bond strengths is found.