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Theoretical investigation into the palladium-catalyzed silaboration of pyridines
Citation
Ariafard, A and Tabatabaie, ES and Monfared, AT and Assar, SHA and Hyland, CJT and Yates, BF, Theoretical investigation into the palladium-catalyzed silaboration of pyridines, Organometallics, 31, (5) pp. 1680-1687. ISSN 0276-7333 (2012) [Refereed Article]
Copyright Statement
Copyright 2012 American Chemical Society
Abstract
The palladium-catalyzed silaboration of pyridines has been investigated with the use of density functional theory. The results predict a very interesting dearomatization step in the reaction mechanism which is surprisingly facile due to the formation of a very strong covalent bond between nitrogen and boron in the product. Our calculations show that the regioselectivity of the final product is governed by a mixture of electronic and steric effects, and our predicted outcomes are in agreement with the experimental results.
Item Details
| Item Type: | Refereed Article |
|---|---|
| Keywords: | dearomatization, palladium-catalyzed, reaction mechanism, silaboration, steric effect, theoretical investigations |
| Research Division: | Chemical Sciences |
| Research Group: | Inorganic Chemistry |
| Research Field: | Transition Metal Chemistry |
| Objective Division: | Expanding Knowledge |
| Objective Group: | Expanding Knowledge |
| Objective Field: | Expanding Knowledge in the Chemical Sciences |
| UTAS Author: | Ariafard, A (Associate Professor Alireza Ariafard) |
| UTAS Author: | Hyland, CJT (Dr Chris Hyland) |
| UTAS Author: | Yates, BF (Professor Brian Yates) |
| ID Code: | 81598 |
| Year Published: | 2012 |
| Web of Science® Times Cited: | 11 |
| Deposited By: | Chemistry |
| Deposited On: | 2012-12-18 |
| Last Modified: | 2017-10-25 |
| Downloads: | 0 |
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