| DOI | Resolve DOI: https://doi.org/10.1103/PhysRevLett.92.145503 |
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| Author | Search for: Tang, J.1; Search for: McKellar, A. R. W.1; Search for: Mezzacapo, F.; Search for: Moroni, S. |
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| Affiliation | - National Research Council Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Abstract | High 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. |
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| Publication date | 2004-04-08 |
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| In | |
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| Language | English |
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| NPARC number | 12327631 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 8aa1cf83-1623-4d79-8708-1ff4c57e521a |
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| Record created | 2009-09-10 |
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| Record modified | 2020-04-17 |
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