Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H(2)IMesCl(2)Ru=CHR)
Diego Benítez, Ekaterina Tkatchouk, William A. Goddard III
2008Chemical Communications, 2008(46), 6194-6196
Abstract
Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H2IMes)(Cl)2Ru olefin metathesis mechanism is bottom-bound with the chlorides remaining trans throughout the reaction, thus attempts to effect diastereo- and enantioselectivity should focus on manipulations that maintain the trans-dichloro Ru geometry.
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Benítez, D., Tkatchouk, E., & III, W. A. G. (2008). Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H(2)IMesCl(2)Ru=CHR). *Chemical Communications*, *2008*(46), 6194-6196.