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Molecular Modeling of Ruthenium Alkylidene Mediated Olefin Metathesis Reactions. DFT Study of Reaction Pathways

✍ Scribed by Fomine, Serguei; Vargas, Sergio Martinez; Tlenkopatchev, Mikhail A.


Book ID
120363017
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
292 KB
Volume
22
Category
Article
ISSN
0276-7333

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Theoretical studies of the pathway in the Heck reaction between ethenΒ’ and a methyl el~.rOl~ile at IPd(H2ACH2AH2XCH3)ffI2C=CH2)I + (A = P, N) reveal intermediates with an agostic H which is the one p~ferential .ly transferred to base.