High pressure structural studies of halogen bonded systems

DOI

We propose a high-pressure neutron powder diffraction study of three halogen-bonded complexes, namely trimethylamine:ICl, 1,4-dioxane:(IBr)2 and pyridine:IBr. These are some of the simplest halogen-bonded complexes. This proposal will combine and extend several earlier studies on PEARL and HRPD. For trimethylamine:ICl we will investigate the changes in the N¿I-Cl fragment up to 8 GPa and unequivocally show the first example of halogen transfer within a halogen bond. For 1,4-dioxane:(IBr)2, which adopts a different structure to similar halogen-bonded complexes of dioxane, we shall complete our investigation of the simple halogen bonded complexes of this donor molecule. For pyridine:IBr, we shall collect data sufficient to determine the structure of a previously observed high pressure phase of this complex. It is anticipated that these results will shed new light on strong halogen bonding.

Identifier
DOI https://doi.org/10.5286/ISIS.E.61000430
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/61000430
Provenance
Creator Dr Richard Darton; Miss Shelley Brace; Dr Richard Jones; Dr Kevin Knight; Dr Bill Marshall
Publisher ISIS Neutron and Muon Source
Publication Year 2018
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2015-06-08T08:06:09Z
Temporal Coverage End 2015-06-17T07:44:00Z