(N-Heterocyclic Carbene)-Palladate Complexes in Anionic Mizoroki-Heck Coupling Cycles: A Combined Experimental and Computational Study

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Author(s):	Guest, Daniel ^[1] ; Menezes da Silva, Vitor H. ^[2] ; de Lima Batista, Ana P. ^[2] ; Roe, S. Mark ^[1] ; Braga, Ataualpa A. C. ^[2] ; Navarro, Oscar ^[1] Total Authors: 6
Affiliation:	^[1] Univ Sussex, Dept Chem, Brighton BN1 9QJ, E Sussex - England ^[2] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, BR-05508000 Sao Paulo - Brazil Total Affiliations: 2
Document type:	Journal article
Source:	Organometallics; v. 34, n. 11, p. 2463-2470, JUN 8 2015.
Web of Science Citations:	35
Abstract
The reaction of complex (SIPr)PdCl2(TEA) (SIPr = 1,3-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene, TEA = triethylamine) with tertbutylammoniun chloride (TBAC) at room temperature affords the new ionic complex {[}TBA] {[}(SIPr)-PdCl3] in quantitative yield. The activity of this complex as a precatalyst for Heck coupling reactions has been explored. Experimental results and DFT calculations support a plausible anionic Amatore-Jutand-type mechanism for the Heck reaction involving anionic (NHC)-palladium(0) catalytic species. (AU)

FAPESP's process:	13/04813-6 - Mechanistic studies of Heck-Matsuda reactions: a theoretical investigation
Grantee:	Vitor Hugo Menezes da Silva
Support Opportunities:	Scholarships in Brazil - Doctorate


FAPESP's process:	13/22235-0 - Homogeneous and Heterogeneous Catalysis: The Importance of Auxiliary Groups
Grantee:	Ana Paula de Lima Batista
Support Opportunities:	Scholarships in Brazil - Post-Doctoral