Our latest SMOM paper now out in J. Am. Chem. Soc.. Single-crystal to single-crystal methane and ethane activation at an Ir-pincer complex. Molecular solid-state reactivity, neutron-diffraction, SSNMR, Periodic-DFT & inverse isotope effects.
pubs.acs.org/doi/10.1021/...
The known complex [Ir(tBu-PONOP)MeH][BArF4], 1[BArF4] [tBu-PONOP = κ3-2,6-(tBu2PO)2C5H3N); ArF = 3,5-(CF3)2(C6H3); J. Am. Chem. Soc. 2009, 131, 8603], is a robust precursor for in crystallo single-cry...
