Halogen bonds and sigma-holes

Beitrag in einer Fachzeitschrift


Details zur Publikation

Autor(en): Clark T
Zeitschrift: Faraday Discussions
Verlag: ROYAL SOC CHEMISTRY
Jahr der Veröffentlichung: 2017
Band: 203
Seitenbereich: 9-27
ISSN: 1359-6640
eISSN: 1364-5498


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 sigma-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.


FAU-Autoren / FAU-Herausgeber

Clark, Timothy apl. Prof. Dr.
Computer-Chemie-Centrum


Zitierweisen

APA:
Clark, T. (2017). Halogen bonds and sigma-holes. Faraday Discussions, 203, 9-27. https://dx.doi.org/10.1039/c7fd00058h

MLA:
Clark, Timothy. "Halogen bonds and sigma-holes." Faraday Discussions 203 (2017): 9-27.

BibTeX: 

Zuletzt aktualisiert 2018-18-12 um 08:23