Bridging the Gap between Small Clusters and Nanodroplets: Spectroscopic Study<? format?> and Computer Simulation of Carbon Dioxide Solvated with Helium …
Physical review letters, 2004•APS
High resolution infrared spectra of He N-CO 2 clusters with N up to 17 have been studied in
the region of the CO 2 ν 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 …
the region of the CO 2 ν 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 …
High resolution infrared spectra of clusters with up to 17 have been studied in the region of the fundamental band. The rotational constant initially drops as expected for a normal molecule, reaching a minimum for . Its subsequent rise for to 11 can be interpreted as the transition from a normal (though floppy) molecule to a quantum solvation regime. For , the 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 in this size range and complement the experimental study with detailed structural information. For a larger cluster size () the simulations show a clear sign of convergence towards the nanodroplet value.
American Physical Society以上显示的是最相近的搜索结果。 查看全部搜索结果