Journal of Physical Chemistry A, Vol.122, No.1, 159-166, 2018
Photochemistry of the H2O/CO System Revisited: The HXeOH center dot center dot center dot CO Complex in a Xenon Matrix
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 center dot center dot center dot CO reaction in a xenon matrix, the OH center dot center dot center dot CO complexes being produced by VUV photolysis of the H2O center dot center dot center dot CO complexes. The H-Xe stretching mode of the HXeOH center dot center dot center dot CO complex absorbs at 1590.3 cm(-1) and it is blue-shifted by 12.7 cm(-1) 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 center dot center dot center dot 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.