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BIBTEX RIS

Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)

2008; Royal Society of Chemistry; Issue: 46 Linguagem: Inglês

10.1039/b815665d

ISSN

1364-548X

Autores

Diego Benítez, E. Tkatchouk, William A. Goddard,

Tópico(s)

Electrocatalysts for Energy Conversion

Resumo

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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