Inorganic Chemistry, Vol.51, No.13, 7415-7424, 2012
OMS, OM(eta(2)-SO), and OM(eta(2)-SO)(eta(2)-SO2) Molecules (M = Ti, Zr, Hf): Infrared Spectra and Density Functional Calculations
Infrared spectra of the matrix isolated OMS, OM(eta(2)-SO), and OM(eta(2)-SO)(eta(2)-SO2) (M = Ti, Zr, Hf) molecules were observed following laser-ablated metal atom reactions with SO2 during condensation in solid argon and neon. The assignments for the major vibrational modes were confirmed by appropriate (SO2)-O-18 and (SO2)-S-34 isotopic shifts, and density functional vibrational frequency calculations (B3LYP and BPW91). Bonding in the initial OM(eta(2)-SO) reaction products and in the OM(eta(2)-SO)(eta(2)-SO2) adduct molecules with unusual chiral structures is discussed.