1226909-13-2Relevant academic research and scientific papers
Heterolytic splitting of H-X bonds at a cationic (PNP)Pd center
Gregor, Lauren C.,Chen, Chung-Hsing,Fafard, Claudia M.,Fan, Lei,Guo, Chengyun,Foxman, Bruce M.,Gusev, Dmitry G.,Ozerov, Oleg V.
, p. 3195 - 3202 (2010)
The (PNP)PdOTf complex is a suitable synthetic equivalent of the [(PNP)Pd]+ fragment in reactions with various HX substrates. The [(PNP)Pd]+ fragment either simply binds HX molecules as L-type ligands (X = NH2, PCy2, imidazolyl) or heterolytically splits the H-X bond to produce [(PN(H)P)Pd-X]+ (X = H, CCR, SR). DFT calculations analyze the relative energetics of the two outcomes and agree with the experimental data. Calculations also allow to assess the unobserved Pd(iv) isomer [(PNP)Pd(H)2]+ and validate its unfavourability with respect to the Pd(ii) isomer [(PN(H)P)PdH]+. The Royal Society of Chemistry 2010.
