doi: 10.1126/science.271.5245.59.
Quantifying hydrogen bond cooperativity in water: VRT spectroscopy of the water tetramer
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- PMID: 11536731
- DOI: 10.1126/science.271.5245.59
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Quantifying hydrogen bond cooperativity in water: VRT spectroscopy of the water tetramer
Science.
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Abstract
Measurement of the far-infrared vibration-rotation tunneling spectrum of the perdeuterated water tetramer is described. Precisely determined rotational constants and relative intensity measurements indicate a cyclic quasi-planar minimum energy structure, which is in agreement with recent ab initio calculations. The O-O separation deduced from the data indicates a rapid exponential convergence to the ordered bulk value with increasing cluster size. Observed quantum tunneling splittings are interpreted in terms of hydrogen bond rearrangements connecting two degenerate structures.
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