ISIS Neutron and Muon Source Data Journal

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
Select the data format above to find out more about it.

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; (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.



UKRI


Science and Technology Facilities Council Switchboard: 01793 442000