Bridging the gap between small clusters and nanodroplets : spectroscopic study and computer simulation of carbon dioxide solvated with helium atoms

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DOIResolve DOI: http://doi.org/10.1103/PhysRevLett.92.145503
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TypeArticle
Journal titlePhysical Review Letters
Volume92
Issue14
Pages145503-1145503-4; # of pages: 4
AbstractHigh resolution infrared spectra of HeN-CO2 clusters with N up to 17 have been studied in the region of the CO2 ?3 fundamental band. The B rotational constant initially drops as expected for a normal molecule, reaching a minimum for N=5. Its subsequent rise for N=6 to 11 can be interpreted as the transition from a normal (though floppy) molecule to a quantum solvation regime. For N>13, the B value becomes approximately constant with a value about 17% larger than that measured in much larger helium nanodroplets. Quantum Monte Carlo calculations of pure rotational spectra are in excellent agreement with the measured B in this size range and complement the experimental study with detailed structural information. For a larger cluster size (N=30�50) the simulations show a clear sign of convergence towards the nanodroplet B value.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12327631
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Record identifier8aa1cf83-1623-4d79-8708-1ff4c57e521a
Record created2009-09-10
Record modified2016-05-09
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