O2 activation by metal-ligand cooperation with Ir(I) PNP pincer complexes

J Am Chem Soc. 2015 Apr 15;137(14):4634-7. doi: 10.1021/jacs.5b01585. Epub 2015 Apr 1.

Abstract

A unique mode of molecular oxygen activation, involving metal-ligand cooperation, is described. Ir pincer complexes [((t)BuPNP)Ir(R)] (R = C6H5 (1), CH2COCH3 (2)) react with O2 to form the dearomatized hydroxo complexes [((t)BuPNP*)Ir(R)(OH)] ((t)BuPNP* = deprotonated (t)BuPNP ligand), in a process which utilizes both O-atoms. Experimental evidence, including NMR, EPR, and mass analyses, indicates a binuclear mechanism involving an O-atom transfer by a peroxo intermediate.