期刊
SCIENCE
卷 352, 期 6290, 页码 1194-1197出版社
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.aad8625
关键词
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资金
- Chemical Structure, Dynamics, and Mechanisms-A Division of the National Science Foundation [1300723]
- Direct For Mathematical & Physical Scien [1300723] Funding Source: National Science Foundation
- Division Of Chemistry [1300723] Funding Source: National Science Foundation
Clusters of eight water molecules play an important role in theoretical analysis of aqueous structure and dynamics but have proven to be challenging experimental targets. Here we report the high-resolution spectroscopic characterization of the water octamer. Terahertz (THz) vibration-rotation-tunneling (VRT) spectroscopy resolved 99 transitions with 1 part per million precision in a narrow range near 46.5 wave numbers, which were assigned to the h(16) octamer via detailed isotope dilution experiments. Fitting to a semi-rigid symmetric top model supports predictions of two coexisting cuboidal structures and provides precise values for the changes in their rotational constants. Comparison with theory and previous spectroscopic data provides a characterization of the two structures and the observed torsional vibration and supports the prediction that the D-2d symmetry structure is lower in energy than the S-4 isomer.
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