Coordination of ScO+ and YO+ by multiple Ar, Kr, and Xe atoms in noble gas matrixes: a matrix isolation infrared spectroscopic and theoretical study

The combination of matrix isolation infrared spectroscopic and quantum chemical calculation results provide strong evidence that scandium and yttrium monoxide cations, ScO+ and YO+, coordinate multiple noble gas atoms in forming noble gas complexes. The results showed that ScO+ coordinates five Ar, Kr, or Xe atoms, and YO+ coordinates six Ar or Kr and five Xe atoms in solid noble gas matrixes. Hence, the ScO+ and YO+ cations trapped in solid noble gas matrixes should be regarded as the ScO(Ng)5]+ (Ng = Ar, Kr, or Xe), YO(Ng)6]+ (Ng = Ar or Kr) or YO(Xe)5]+ complexes. Experiments with dilute krypton or xenon in argon or krypton in xenon produced new IR bands, which are due to the stepwise formation of the ScO(Ar)(5-n)(Kr)n]+, ScO(Kr)(5-n)(Xe)n]+ (n = 1-5), YO(Ar)(6-n)(Kr)n]+ (n = 1-6), and YO(Ar)(6-n)(Xe)n]+ (n = 1-4) complexes.