The Nature of Hydrogen Bonds: A Delineation of the Role of Different Energy Components on Hydrogen Bond Strengths and Lengths

Stephanie C.C. van der Lubbe, Célia Fonseca Guerra*

*Corresponding author for this work

Research output: Contribution to JournalReview articleAcademicpeer-review

Abstract

Hydrogen bonds are a complex interplay between different energy components, and their nature is still subject of an ongoing debate. In this minireview, we therefore provide an overview of the different perspectives on hydrogen bonding. This will be done by discussing the following individual energy components: 1) electrostatic interactions, 2) charge-transfer interactions, 3) π-resonance assistance, 4) steric repulsion, 5) cooperative effects, 6) dispersion interactions and 7) secondary electrostatic interactions. We demonstrate how these energetic factors are essential in a correct description of the hydrogen bond, and discuss several examples of systems whose energetic and geometrical features are not captured by easy-to-use predictive models.

Original languageEnglish
Pages (from-to)2760-2769
Number of pages10
JournalChemistry - An Asian Journal
Volume14
Issue number16
DOIs
Publication statusPublished - 1 Jan 2019

Keywords

  • cooperative effects
  • hydrogen bonds
  • molecular interactions
  • noncovalent interactions
  • supramolecular chemistry

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