Fig. 10

FMO analysis. FMO analysis of key intermediates during the oxidative addition steps in Ni(II)-catalysed C–H bond arylation. The reacting FMOs of 6, 8, 7a, and 9′ were calculated at the M11-L/6-311+G(d) level
FMO analysis. FMO analysis of key intermediates during the oxidative addition steps in Ni(II)-catalysed C–H bond arylation. The reacting FMOs of 6, 8, 7a, and 9′ were calculated at the M11-L/6-311+G(d) level