Zinc and cadmium dihydroxide molecules: matrix infrared spectra and theoretical calculations.

摘要: Laser-ablated zinc and cadmium atoms were mixed uniformly with H2 O2 in excess argon or neon pure hydrogen deuterium during deposition at 8 4 K. UV irradiation excites metal to insert into producing OMO molecules (M = Zn, Cd), which react further give the hydroxides M(OH)2 HMOH. The identified through O-H M-O stretching modes appropriate HD, D2, (16,18)O2, (18)O2 isotopic shifts. HMOH characterized by O-H, M-H, an M-O-H bending mode, particularly strong H2/D2. Analogous Zn Cd atom reactions H2O2 produced same absorptions. Density functional theory MP2 calculations reproduce IR spectra of these molecules. bonding Group 12 dihydroxides comparison 2 are discussed. Although dihydroxide frequencies lower, calculated charges show that more ionic.