EFFECTIVE MOMENTS OF INERTIA OF LINEAR MOLECULES EMBEDDED IN ${^{4}}He$ CLUSTERS.

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Title: EFFECTIVE MOMENTS OF INERTIA OF LINEAR MOLECULES EMBEDDED IN ${^{4}}He$ CLUSTERS.
Creators: Callegari, C.; Conjusteau, Andre; Reinhard, I.; Lehmann, K. K.; Scoles, G.; Dalfovo, Frankco
Issue Date: 1999
Publisher: Ohio State University
Abstract: In recent times, rotationally resolved infrared spectra of several linear molecules $(HCN^{a}, HCCH^{b}, OCS^{c}, HCCCN^{d})$ embedded in ${^{4}}He$ clusters have been measured by us and by other groups. From such spectra, effective moments of inertia $(1_{eff})$ can be calculated that are consistently larger (up to a factor of 3, depending on the molecule) than the corresponding gas phase values. While the trend can be explained by a simple hydrodynamic model (a solid ellipsoid rotating in a non viscous, incompressible $fluid^{e}$), quantitative predictions need to take into account the effect of the increased helium density around the guest molecule. We have calculated the density profiles of He clusters doped with the above molecules, using the density-functional $approach^{f}$, and we find that the agreement between measured and calculated values of $I_{eff}$ is significantly improved.
Description: $^{a}$ K. Nauta and R.E. Miller, submitted to Phys. Rev. Lett. $^{b}$ K. Nauta and R.E. Miller, personal communication. $^{c}$ S. Grebenev, J.P. Toennies, and A.F. Vilesov, Science 279, 2083 (1998). $^{d}$ Callegari et al., to be published. $^{e}$ Milne-Thomson, Theoretical Hydrodynamics, Fifth Edition, p. 542, Dover Publications, Inc., 1996; K.K. Lehmann, Mol Phys., in press. $^{f}$ F. Dalfovo, Z. Phys. D 29, 61 (1993); F. Dalfovo et al., Phys. Rev. B 52, 1193 (1995).
Author Institution: Department of Chemistry, Princeton University; Dipartimento di Fisica, Universit\`{a} di Trento
URI: http://hdl.handle.net/1811/19462
Other Identifiers: 1999-TD-09
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