Ryazantsev Sergey V, Lundell Jan, Feldman Vladimir I, Khriachtchev Leonid
Department of Chemistry, University of Helsinki , P.O. Box 55, FI-00014 Helsinki, Finland.
Department of Chemistry, Lomonosov Moscow State University , Moscow 119991 Russia.
J Phys Chem A. 2018 Jan 11;122(1):159-166. doi: 10.1021/acs.jpca.7b10293. Epub 2017 Dec 21.
We report on the complex of a noble-gas hydride HXeOH with carbon monoxide. This species is prepared via the annealing-induced H + Xe + OH···CO reaction in a xenon matrix, the OH···CO complexes being produced by VUV photolysis of the HO···CO complexes. The H-Xe stretching mode of the HXeOH···CO complex absorbs at 1590.3 cm and it is blue-shifted by 12.7 cm from the H-Xe stretching band of HXeOH monomer. The observed blue shift indicates the stabilization of the H-Xe bond upon complexation, which is characteristic of complexes of noble-gas hydrides. The HXeOH···CO species is the first complex of a noble-gas hydride with carbon monoxide and the second observed complex of HXeOH. On the basis of the MP2/aug-cc-pVTZ-PP calculations, the experimental complex is assigned to the structure, where the carbon atom of CO interacts with the oxygen atom of HXeOH.
我们报道了一种稀有气体氢化物HXeOH与一氧化碳形成的配合物。该物种是通过在氙基质中退火诱导的H + Xe + OH···CO反应制备的，OH···CO配合物是由HO···CO配合物的真空紫外光解产生的。HXeOH···CO配合物的H-Xe伸缩模式在1590.3 cm处吸收，并且相对于HXeOH单体的H-Xe伸缩带蓝移了12.7 cm。观察到的蓝移表明络合时H-Xe键的稳定化，这是稀有气体氢化物配合物的特征。HXeOH···CO物种是稀有气体氢化物与一氧化碳形成的首个配合物，也是观察到的HXeOH的第二个配合物。基于MP2/aug-cc-pVTZ-PP计算，将实验配合物归属于CO的碳原子与HXeOH的氧原子相互作用的结构。
