Mechanism and activity of ruthenium olefin metathesis catalysts: the role of ligands and substrates from a theoretical perspective
The reaction mechanism of olefin metathesis by ruthenium carbene catalysts is studied by gradient-corrected density functional calculations (BP86). Alternative reaction mechanisms for the reaction of the "first-generation" Grubbs-type catalyst (PCy(3))(2)Cl(2)Ru=CH(2) (1) for the reaction...
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| Published in: | Journal of the American Chemical Society Vol. 126; no. 11; p. 3496 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
24.03.2004
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| ISSN: | 0002-7863 |
| Online Access: | Get more information |
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