Abstract
Detailed study of the nature of weak coordination K-O interactions and strong O-H···O hydrogen bonds and estimation of their energy in a potassium hydrophthalate crystal have been performed on the basis of the topological analysis of the electron density distribution function, obtained from precise X-ray diffraction study at 100 K (R1 = 0.0110), within Bader’s “Atoms in Molecule” theory. It is shown that the charge transfer accompanying the formation of cation···anion associates in the crystal is only 0.05 e.
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Original Russian Text © Yu.V. Nelyubina, K.A. Lyssenko, M.Yu. Antipin, 2008, published in Kristallografiya, 2008, Vol. 53, No. 2, pp. 219–225.
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Nelyubina, Y.V., Lyssenko, K.A. & Antipin, M.Y. Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis. Crystallogr. Rep. 53, 192–198 (2008). https://doi.org/10.1134/S1063774508020053
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DOI: https://doi.org/10.1134/S1063774508020053