Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B$NH3 as probed by experiment and computation

Abstract

Multiple metal-bound oligomers in the dehydropolymerisation of H3B$NH3 have been observed by electrospray-ionisation mass spectrometry and NMR spectroscopy using the catalytic metal fragment {Ir(PCy3)2(H)2}+. A computational study suggests that sterics dictate whether multiple dehydrogenation/ B–N coupling of amine-boranes H3B$NRR'H (R, R0 ¼ Me or H) is observed, and also demonstrates the experimentally observed requirement for additional amine-borane to promote dehydrocoupling.