Theoretical and Experimental Study of the Rovibrational Spectra of CO_2-(para-H_2)-He Trimers

Details Theoretical and Experimental Study of the Rovibrational Spectra of CO_2-(para-H_2)-He Trimers Theoretical and Experimental Study of the Rovibrational Spectra of CO_2-(para-H_2)-He Trimers

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confeti09l&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Infrared/Raman

Scientific paper

Clusters of p-H_2 had been predicted to exhibit superfluid behavior twenty years ago, but direct observation of this phenomenon was elusive until our recent work combining experimental measurments and theoretical simulations of the non-classical rotational inertia and superfluid response of p-H_2 clusters doped with CO_2. However, the size-dependent superfluid response of those clusters reached a maxmum at N=12, and the clusters become frozen at larger N. It is therefore interesting to examine the effect of adding helium atoms to a pure p-H_2 shell around a CO_2 chromophore, and to investigate their effect on the superfluid response of CO_2-(p-H_2)_N for N>12. This will help us understand the role of helium as a `second solvent' species, and help explain experiments that had been presented as evidence of superfluidity of doped hydrogen clusters embedded in helium nanodroplets. Exact quantum calculation of infrared and microwave spectra for dopant molecules attached to two pure He atoms or two pure p-H_2 molecules, respectively, have been reported by Wang and co-workers and by Li et al. To date, however, no such calculations have been reported for mixed p-H_2/He solvent species. The present paper therefore extends such work to the case of one p-H_2 and one He atom attached to one CO_2 dopant molecule. Three-dimensional p-H_2 and helium densities in the body-fixed frame are presented, and compared with those for the analogous CO_2-(He)_2 and CO_2-(p-H_2)_2 trimers.
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