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- W1985420908 abstract "Abstract Semi-empirical molecular-orbital calculations are reported for the O-H stretching force constants of different hydrogen-bonded species of water involving dimeric, trimeric, tetrameric and pentameric associations. These calculations show that - in general - a water molecule bonded to another water molecule through oxygen lone-pair electrons behaves as a stronger acid than an isolated water molecule, and a water molecule bonded to two water molecules through its two oxygen lone pairs is still stronger. This is reflected in the force constants of hydrogen-bonded O-H bonds. These results explain why O-H stretching bands in IR and Raman spectra of liquid water appear at significantly lower frequencies than for solutions of water in organic bases, even though water is a weaker base." @default.
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- W1985420908 date "1986-01-01" @default.
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- W1985420908 title "Effect of molecular interactions on the O-H stretching force constants for associated water species" @default.
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- W1985420908 doi "https://doi.org/10.1016/0009-2614(86)87173-1" @default.
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