Palladium(0) alkyne complexes as active species: a DFT investigation.
Alkynes have been found to be excellent ligands for Pd(0); the stability of a range of alkyne-Pd(0) complexes, and their reactivity in oxidative addition, have been investigated by DFT methods.
Ahlquist
Mårten
M
Technical University of Denmark, Kemitorvet Building 201, DK-2800 Lyngby, Denmark.
Fabrizi
Giancarlo
G
Cacchi
Sandro
S
Norrby
Per-Ola
PO