Z. KISIEL, L. PSZCZÓ\L KOWSKI, E. BIA\L KOWSKA-JAWORSKA, O. DESYATNYK, M. J. NOWAK, Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warszawa, Poland.
The trimer (H2O HCl) Ar was observed in this laboratory by supersonic expansion cavity-FTMW spectroscopy, during the work carried out on H2O...HCl and (H2O)2HCl. The title trimer appears to be useful test-bed for detailed assessment of the effect of complexing a Rare-gas atom to the more strongly bound H2O HCl subunit. (H2O HCl) Ar is near-planar and since the H2O HCl unit is oriented at ~ 27o to the b-inertial axis both the µb and the µa dipole moment components are appreciable, giving rise to a rich rotational spectrum. Presently we present a summary of the information obtained for this trimer.
Five different isotopomers of the trimer, resulting from 37Cl, D, and 18O substitution, have been observed. In addition to the usual spectroscopic constants it was possible to determine accurate values of the ab nuclear quadrupolar splitting constant for the chlorine nucleus, and thus the principal nuclear quadrupole tensor and the associated rotation angle. Electric dipole moment of the trimer was measured and supporting ab~initio calculations at the MP2/aug-cc-pVTZ level were carried out. Following a recent test of the applicability of the rm method to weakly bound complexes we derived such a geometry for (H2O HCl) Ar and find it to be in satisfactory agreement with the ab~inito calculations. Comparison of results obtained for the trimer with the accurate data available for H2O HCl allow the effects of this first step in inert-gas matrix isolation of H2O HCl to be identified.