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Theoretical investigation into the palladium-catalyzed silaboration of pyridines


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

DOI: doi:10.1021/om2008106


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:13
Deposited By:Chemistry
Deposited On:2012-12-18
Last Modified:2017-10-25

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