Non-linearity of hydrogen bonds in molecular crystals

IN recent studies of the non-linearity of hydrogen bonds 1,2 , histograms have been shown of the O–H ⋯ O angles, ψ The distributions reflect the energy dependence of the hydrogen bond on the angle ψ . In such distributions maxima are found at values of ψ approximately 15° from the linear configurati...

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Veröffentlicht in:	Nature (London) 1974-04, Vol.248 (5450), p.667-669
Hauptverfasser:	KROON, J, KANTERS, J. A
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Sprache:	eng
Schlagworte:	Humanities and Social Sciences letter multidisciplinary Science Science (multidisciplinary)
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description	IN recent studies of the non-linearity of hydrogen bonds 1,2 , histograms have been shown of the O–H ⋯ O angles, ψ The distributions reflect the energy dependence of the hydrogen bond on the angle ψ . In such distributions maxima are found at values of ψ approximately 15° from the linear configuration. Model calculations on water dimer interactions 3 indicate, however, that the configuration of minimum energy involves a linear hydrogen bond.
doi_str_mv	10.1038/248667a0
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title	Non-linearity of hydrogen bonds in molecular crystals
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