The nature and energy characteristics of intramolecular hydrogen bonds in crystals |
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Authors: | K. A. Lyssenko M. Yu. Antipin |
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Affiliation: | (1) A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 119991 Moscow, Russian Federation |
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Abstract: | The review concerns the results of systematic X-ray diffraction studies of the electron density distribution in the crystals of compounds with strong intramolecular hydrogen bonds N-H...O, O-H...O, O-H...N, and N-H...S. The advantages of the topological analysis of the electron density distribution function in the analysis of the nature and estimation of the H-bond energies directly from experimental data are discussed. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 1–14, January, 2006. |
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Keywords: | X-ray diffraction studies quantum chemical calculations topological analysis electron density distribution function intramolecular hydrogen bond N-H...O, O-H...O, O-H...N, and N-H...S proton transfer in crystals |
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