Journal
MONATSHEFTE FUR CHEMIE
Volume 140, Issue 4, Pages 371-374Publisher
SPRINGER WIEN
DOI: 10.1007/s00706-008-0035-0
Keywords
Reaction mechanism; Pd(II) precatalyst; Amino alcohol; Quantum chemical calculations
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Funding
- Ministry of Science and the Environment of Serbia [142013 B]
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The use of well-defined trans-dichlorobis(diethanolamine-N) palladium(II) complex (trans-[PdCl2(DEA)(2)]) as a new, modern, and effective Heck precatalyst is reported. The mechanism of the key, initial steps of the reaction, i.e., the formation of the Pd(0) complex, is examined using density functional theory.
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