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Non-linearity of hydrogen bonds in molecular crystals

Nature volume 248, pages 667–669 (1974)Cite this article

Abstract

IN recent studies of the non-linearity of hydrogen bonds1,2, 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 interactions3 indicate, however, that the configuration of minimum energy involves a linear hydrogen bond.

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Authors and Affiliations

  1. Laboratory of General Chemistry, Structural Chemistry Group Transitorium III, Universiteitscentrum ‘Uithof’, Padualaan 8, Utrecht, The Netherlands

    J. KROON & J. A. KANTERS

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  1. J. KROON
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  2. J. A. KANTERS
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KROON, J., KANTERS, J. Non-linearity of hydrogen bonds in molecular crystals. Nature 248, 667–669 (1974). https://doi.org/10.1038/248667a0

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  • DOI: https://doi.org/10.1038/248667a0

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