Anand, Megha ; Sunoj, Raghavan B. ; Schaefer, Henry F. (2014) Non-innocent additives in a palladium (II)-catalyzed C–H bond activation reaction: insights into multimetallic active catalysts Journal of the American Chemical Society, 136 (15). pp. 5535-5538. ISSN 0002-7863
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Official URL: http://pubs.acs.org/doi/abs/10.1021/ja412770h
Related URL: http://dx.doi.org/10.1021/ja412770h
Abstract
The role of a widely employed additive (AgOAc) in a palladium acetate-catalyzed ortho-C–H bond activation reaction has been examined using the M06 density functional theory. A new hetero-bimetallic Pd-(μ-OAc)3-Ag is identified as the most likely active species. This finding could have far-reaching implications with respect to the notion of the active species in palladium catalysis in the presence of other metal salt additives.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 109748 |
| Deposited On: | 02 Aug 2017 11:43 |
| Last Modified: | 02 Aug 2017 11:43 |
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