ISIS Neutron and Muon Source Data Journal

A Study of Halogen Bonding in the Liquid State: Effect of Halogen Atom Substitution and Comparison to Hydrogen Bonding

Abstract: Halogen bonding is a directional intermolecular interaction that occurs between covalently bonded halogens and Lewis bases. It is caused by the anisotropic distribution of charge around the halogen, being distributed radially around the bond axis, with a net positive charge opposite the R-X bond into which a Lewis base can donate its electron density. The past decade has seen an explosion of interest on the topic of halogen bonding, as this important intermolecular interaction is found in a number of applications including porous frameworks, liquid crystals, drug binding and organic catalysis. Measurements of liquid structure on a series of halo-pentafluorobenzene:pyridine mixtures will allow us to understand effect of the halogen substitution (Cl/Br/I) and compare to a similar hydrogen bonding system - pentafluorobenzene:pyridine.

Principal Investigator: Dr Tom Headen
Experimenter: Professor Pierangelo Metrangolo
Experimenter: Dr Francesca Baldelli Bombelli

DOI: 10.5286/ISIS.E.RB1810790

ISIS Experiment Number: RB1810790

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Tom Headen et al; (2018): A Study of Halogen Bonding in the Liquid State: Effect of Halogen Atom Substitution and Comparison to Hydrogen Bonding, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1810790

Data is released under the CC-BY-4.0 license.