ISIS Neutron and Muon Source Data Journal

Pressure-induced proton migration in an energetic co-crystal

Abstract: The results of these studies will provide valuable information on the effects of extreme conditions on the structures of an energetic salt and co-crystal formed between nitrotriazolone and biyridine, and in particular whether pressure-induced proton transfer is responsible for the observed colour change. This insight into the structural data obtained will strengthen our knowledge of the relationship between molecular packing and sensitivity to impact and shock. The high-quality structural data that will be obtained, including the effects of pressure on hydrogen-bonding motifs, will provide insight into molecular energy transfer, detonation mechanisms and, particularly in this case, the sensitivities to initiation. The results will also be of significant interest to theoreticians who seek to develop predictive models of the behaviour of energetic materials under operational conditions.

Principal Investigator: Professor Colin Pulham
Experimenter: Mr Karl Hope
Experimenter: Dr Craig Bull
Experimenter: Dr Stuart Kennedy
Experimenter: Miss Hayleigh Lloyd
Experimenter: Miss Jessica Cooney

DOI: 10.5286/ISIS.E.RB1720357

ISIS Experiment Number: RB1720357

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:
Professor Colin Pulham et al; (2017): Pressure-induced proton migration in an energetic co-crystal, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720357

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