Volume 203, 2017

Halogen bonds and σ-holes

Abstract

The models behind simple bonding theory and the origins of some components often proposed to be involved in weak intermolecular bonds are described with special reference to σ-hole bonding, of which halogen bonds are a subset. A protocol for the analysis of weak intermolecular interactions is proposed on the basis of sound physical principles. This protocol uses three different levels of interaction; “permanent” Coulomb interactions between unperturbed monomers, relaxed Coulomb interactions and dispersion. Of the three, only dispersion is not a real, measurable quantity. It is, however, included in order to describe interactions that cannot be treated entirely by the first two levels.

Associated articles

Article information

Article type
Paper
Submitted
07 fev 2017
Accepted
13 fev 2017
First published
21 jul 2017

Faraday Discuss., 2017,203, 9-27

Halogen bonds and σ-holes

T. Clark, Faraday Discuss., 2017, 203, 9 DOI: 10.1039/C7FD00058H

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