This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
A high pressure study of hydrogen and halogen bonding in ND4ICl2
Abstract: Hydrogen and halogen bonding are two of the most important intermolecular forces in chemistry and biology. NH4ICl2 consists of NH4+ and ICl2? ions, the latter of which deviates considerably from the symmetric geometry most often encountered. One of the I-Cl distances is at the upper end of those previously reported for this ion; and is intermediate in length between an I-Cl bond and an I---Cl halogen bond, with the chlorine atoms involved in several hydrogen bonds of varying strength. The other I-Cl bond is closer to that seen in ICl. NQR studies suggest that electronic structure of the ICl2? ion alters upon cooling to liquid nitrogen temperature because of changes in the reorientational motion of the ammonium ion. We will carry out a variable pressure experiment to investigate how hydrogen and halogen bonding respond to pressure and how change in one force will affect the other.
Principal Investigator: Dr Richard Jones
Experimenter: Dr Dominic Fortes
Local Contact: Dr Craig Bull
Experimenter: Dr Kevin Knight
DOI: 10.5286/ISIS.E.RB2220589
ISIS Experiment Number: RB2220589
Part DOI | Instrument | Public release date | Download Link |
---|---|---|---|
- | PEARL | 06 March 2026 | Download |
10.5286/ISIS.E.RB2220589-2 | PEARL | 29 September 2026 | Download |
10.5286/ISIS.E.RB2220589-3 | PEARL | 30 April 2027 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
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publication is as:
[author], [date], [title], [publisher],
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For Example:
Dr Richard Jones et al; (2023): A high pressure study of hydrogen and halogen bonding in ND4ICl2, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2220589
Data is released under the CC-BY-4.0 license.