| Literature DB >> 19082117 |
Diego Benitez1, Ekaterina Tkatchouk, William A Goddard.
Abstract
Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H(2)IMes)(Cl)(2)Ru 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.Entities:
Year: 2008 PMID： 19082117 DOI： 10.1039/b815665d
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222