A new aspect of Heck catalyst formation

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Назив:	A new aspect of Heck catalyst formation
Аутори:	Petrović, Vladimir Markovic, Svetlana Petrović, Zorica
Датум издавања:	2011
Сажетак:	The mechanism of the formation of the active Pd(0) complex from trans-dichlorobis(diethanolamine-N)palladium(II) complex in the presence of strong base was investigated by using density functional theory (M06 method). Our investigation shows that in the basic environment trans- dichlorobis(diethanolamine-N)palladium(II) complex undergoes abstraction of the alcoholic proton, and coordination of alkoxide oxygen to palladium. The intermediate complex, in which hydrogen is coordinated to Pd, undergoes reductive elimination of HCl, yielding the catalytically active low ligated Pd(0) complex. © 2011 Springer-Verlag.
URI:	https://scidar.kg.ac.rs/handle/123456789/10059
Тип:	article
DOI:	10.1007/s00706-010-0439-5
ISSN:	0026-9247
SCOPUS:	2-s2.0-79951951138
Налази се у колекцијама:	Faculty of Science, Kragujevac