Mechanistic pathways for oxidative addition of aryl iodides to the low-ligated diethanolamine palladium(0) complex in phosphine-free Heck reactions

Journal of Organometallic Chemistry

Volumn 694, Issue 24, 2009, Pages 3852-3858

  Petrović, Zorica D ^a   Petrović, Vladimir P ^a   Simijonović, Dušica ^a   Marković, Svetlana ^a  

^a UNIVERSITY OF KRAGUJEVAC   (Serbia)

Author keywords

Density functional theory; Diethanolamine palladium complex; Heck reaction; Oxidative addition

Indexed keywords

ACTIVATED COMPLEX; ACTIVATED OLEFINS; ACTIVATION BARRIERS; ARYL IODIDES; BENZENE RING; COMPUTATIONAL INVESTIGATION; DIETHANOLAMINE; DIETHANOLAMINE PALLADIUM COMPLEX; HECK REACTION; HECK REACTIONS; INTERMEDIATE COMPLEX; IODOBENZENE; MECHANISTIC PATHWAYS; NUCLEOPHILIC ATTACK; OXIDATIVE ADDITION; OXIDATIVE ADDITIONS; PALLADIUM COMPLEXES; PD COMPLEX; PHOSPHINE-FREE; PRE-ACTIVATION; PRECATALYSTS; RATE DETERMINING STEP; WEAK BASE;

ACTIVATION ENERGY; ADDITION REACTIONS; BENZENE; CHLORINE COMPOUNDS; DATA ENVELOPMENT ANALYSIS; DENSITY FUNCTIONAL THEORY; OLEFINS; PALLADIUM; PHOSPHORUS COMPOUNDS;

PALLADIUM COMPOUNDS;

EID: 70349970902     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2009.07.043     Document Type: Article

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