4.1 Review

The nature and energy characteristics of intramolecular hydrogen bonds in crystals

Journal

RUSSIAN CHEMICAL BULLETIN
Volume 55, Issue 1, Pages 1-15

Publisher

SPRINGER
DOI: 10.1007/s11172-006-0208-0

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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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 center dot center dot center dot O, O-H center dot center dot center dot O, O-H-center dot center dot center dot N, and N-H center dot center dot center dot 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.

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