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Palladium(0) alkyne complexes as active species: a DFT investigation

Mårten Ahlquist1, Giancarlo Fabrizi, Sandro Cacchi

  • 1Technical University of Denmark, Kemitorvet Building 201, DK-2800 Lyngby, Denmark.

Chemical Communications (Cambridge, England)
|August 16, 2005
PubMed
Summary

Alkynes are effective ligands for palladium(0) complexes. Density functional theory (DFT) methods were used to study the stability and oxidative addition reactivity of these alkyne-Pd(0) complexes.

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