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Covalent nature of the hydrogen bond

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Conclusions

The main conclusion derived from this work is that the H bond in all three FHF−, FHFH, and HFHFH+ systems is a three-centered, two-electron, covalent chemical bond formed at the expense of 2a 1g (2a 1) MO bonding. The 1a 1g MO bonding has little effect on H-bond stabilization. Thus the H bond is a one-orbital chemical bond with its formation corresponding, to that of a three-centered MO, as distinguished from molecules bonded by a two-centered MO (e.g., F2 or HOOH [41]; hence the H bond is much weaker. The uniqueness of the H bond lies in its being the weakest covalent bond. It is precisely the covalent nature of the H bond that gives it its characteristic properties, i.e., saturability and strict compliance to structural requirements. In addition, the low dissociation barrier makes it easy to control the H bond under mild conditions, which is very important in biological systems.

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Authors and Affiliations

  1. Scientific-Research Institute of Organic and Physical Chemistry, M. A. Suslov Rostov State University, Russia

    R. M. Minyaev & G. V. Orlova

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  1. R. M. Minyaev
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  2. G. V. Orlova
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Translated from Zhurnal Strukturnoi Khimii, Vol. 26, No. 2, pp. 13–21, March–April, 1985.

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Minyaev, R.M., Orlova, G.V. Covalent nature of the hydrogen bond. J Struct Chem 26, 157–164 (1985). https://doi.org/10.1007/BF00754217

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  • DOI: https://doi.org/10.1007/BF00754217

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