ISIS Neutron and Muon Source Data Journal

High pressure structural studies of halogen bonded systems

Abstract: 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.

Principal Investigator: Dr Richard Jones
Experimenter: Dr Richard Darton
Experimenter: Miss Shelley Brace
Experimenter: Dr Kevin Knight
Experimenter: Dr Bill Marshall

DOI: 10.5286/ISIS.E.RB1510370

ISIS Experiment Number: RB1510370

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 Richard Jones et al; (2015): High pressure structural studies of halogen bonded systems, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510370

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