872682-25-2Relevant academic research and scientific papers
Halobenzenes and Ir(I): Kinetic C-H oxidative addition and thermodynamic C-Hal oxidative addition
Fan, Lei,Parkin, Sean,Ozerov, Oleg V.
, p. 16772 - 16773 (2007/10/03)
A (PNP)Ir fragment undergoes facile, room-temperature oxidative addition of C-H bonds in arenes and haloarenes in preference to aromatic carbon-halogen bonds. This preference, however, is determined to be kinetic in nature. Oxidative addition of C-Cl and C-Br is preferred thermodynamically. The products of the C-Cl or C-Br oxidative addition are separated from the C-H oxidative addition products by a high activation barrier and are only accessible at >100 °C. Of the C-H oxidative addition products of chlorobenzene, the isomer with the o-ClC6H4 ligand has the lowest energy. Copyright
