Russian Chemical Bulletin

, Volume 55, Issue 1, pp 1–15

The nature and energy characteristics of intramolecular hydrogen bonds in crystals

  • K. A. Lyssenko
  • M. Yu. Antipin

DOI: 10.1007/s11172-006-0208-0

Cite this article as:
Lyssenko, K.A. & Antipin, M.Y. Russ Chem Bull (2006) 55: 1. doi:10.1007/s11172-006-0208-0


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.

Key words

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 

Copyright information

© Springer Science+Business Media, Inc. 2006

Authors and Affiliations

  • K. A. Lyssenko
    • 1
  • M. Yu. Antipin
    • 1
  1. 1.A. N. Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussian Federation

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