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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| Institution: | (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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