ISIS Neutron and Muon Source Data Journal

Vibrational property analysis of NH4BH4 using inelastic neutron scattering

Abstract: The proposed experiment at ISIS aims at the characterization of the vibrational properties of ammonium borohydride, NH4BH4, which possess the highest gravimetric H density (~25 wt.%) of any chemical compound. The H disordered crystal structure is composed of the tetrahedral complex ions NH4+ and BH4-. Recent investigations revealed the presence of dynamic disorder, corresponding to very rapid reorientation of both ions, in the temperature range 100 – 250 K. The elucidation of the vibrational properties of NH4BH4 from INS spectroscopy will give new fundamental understanding of dihydrogen bonding in boron-nitrogen based hydrides. It particular this concerns successive ordering processes which are expected to take place below 100 K. These should reveal from the temperature dependence of the internal modes and the possible presence of librational modes of the tetrahedral complexes.

Principal Investigator: Dr Ulrich Haussermann
Experimenter: Mr Adel Moulai
Experimenter: Mr Jakob Grinderslev
Experimenter: Dr Mikael Svante Andersson
Local Contact: Dr Jeff Armstrong
Experimenter: Dr Maths Karlsson
Experimenter: Professor Torben Jensen

DOI: 10.5286/ISIS.E.RB1810112

ISIS Experiment Number: RB1810112

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 Ulrich Haussermann et al; (2018): Vibrational property analysis of NH4BH4 using inelastic neutron scattering, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1810112

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