| Abstract
| - The influence of the nature of the para substituent (Y) and halide (X = Cl, Br, I) of an aryl halide on the preferred reaction pathway and the number of ligands bound to Pd during the oxidative addition of p-Y−C6H4−X to Pd(0) has been examined via DFT calculations.
- The influence of the nature of the para substituent(Y) and halide (X = Cl, Br, I) of an aryl halide on the preferredreaction pathway and the number of ligands bound to Pd duringthe oxidative addition of p-Y−C6H4−X to Pd(0), which is criticalto many Pd-catalyzed cross-coupling reactions, has beenexamined theoretically with the aid of DFT calculations.
|
