Methane and methyl halide activation by Sc atoms: Infrared spectra and DFT calculations for the CH3-ScX and CH2-ScHX complexes

Scandium atoms activate methane and methyl halides to form insertion products (CH3-ScX, X = H, F, Cl, Br) and higher oxidation-state methylidene complexes (CH2-ScHX) following α-hydrogen migration, which exhibit no evidence of agostic distortion.