稀有气体基质中多个氩、氪和氙原子对ScO⁺和YO⁺的配位作用：基质隔离红外光谱和理论研究

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

作者信息

Zhao Yanying, Gong Yu, Chen Mohua, Ding Chuanfan, Zhou Mingfei

机构信息

Department of Chemistry and Laser Chemistry Institute, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, People's Republic of China.

出版信息

J Phys Chem A. 2005 Dec 29;109(51):11765-70. doi: 10.1021/jp054517e.

DOI:10.1021/jp054517e

PMID:16366626

Abstract

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.

摘要

基质隔离红外光谱和量子化学计算结果相结合，提供了强有力的证据，表明钪和氧化钇阳离子ScO⁺和YO⁺在形成稀有气体配合物时能配位多个稀有气体原子。结果表明，在固体稀有气体基质中，ScO⁺能配位5个氩、氪或氙原子，YO⁺能配位6个氩或氪原子以及5个氙原子。因此，被困在固体稀有气体基质中的ScO⁺和YO⁺阳离子应被视为[ScO(Ng)₅]⁺（Ng = 氩、氪或氙）、[YO(Ng)₆]⁺（Ng = 氩或氪）或[YO(Xe)₅]⁺配合物。在氩气中稀释氪气或氙气，或在氙气中稀释氪气的实验产生了新的红外波段，这是由于[ScO(Ar)(5 - n)(Kr)ₙ]⁺、[ScO(Kr)(5 - n)(Xe)ₙ]⁺（n = 1 - 5）、[YO(Ar)(6 - n)(Kr)ₙ]⁺（n = 1 - 6）和[YO(Ar)(6 - n)(Xe)ₙ]⁺（n = 1 - 4）配合物逐步形成所致。