Photochemistry of the H2O/CO System Revisited: The HXeOH···CO Complex in a Xenon Matrix

Sergey V Ryazantsev; Jan Lundell; Vladimir I Feldman; Leonid Khriachtchev

doi:10.1021/acs.jpca.7b10293

Photochemistry of the H₂O/CO System Revisited: The HXeOH···CO Complex in a Xenon Matrix

J Phys Chem A. 2018 Jan 11;122(1):159-166. doi: 10.1021/acs.jpca.7b10293. Epub 2017 Dec 21.

Authors

Sergey V Ryazantsev^{1

2}, Jan Lundell³, Vladimir I Feldman², Leonid Khriachtchev¹

Affiliations

¹ Department of Chemistry, University of Helsinki , P.O. Box 55, FI-00014 Helsinki, Finland.
² Department of Chemistry, Lomonosov Moscow State University , Moscow 119991 Russia.
³ Department of Chemistry, University of Jyväskylä , Jyväskylä, FI-40014, Finland.

PMID: 29206459
DOI: 10.1021/acs.jpca.7b10293

Abstract

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 H₂O···CO complexes. The H-Xe stretching mode of the HXeOH···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···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.