ISIS Neutron and Muon Source Data Journal

Low-temperature glassy features in crystal phase of pentamethylchlorobenzene, PMCB

Abstract: The translational and orientational disorder of some liquids can be frozen if they are cooled down quick enough, giving rise to a Structural Glass (SG). Many features commonly exhibited by canonical glass-formers are also observed in systems that exhibit long-range translational order while retaining orientational disorder ? such as in plastic crystals. Examples include the monoclinic low-temperature phase of CBrnCl4-n molecules (n = 0,1,2), certain adamantane derivatives, and some benzene derivatives. In all these cases, the disorder arises from the occupancy of different molecular sites by specific atoms. We propose to perform INS measurements at 5 K on low-temperature solid phase of the benzene derivative pentamethylchlorobenzene using the MARI instrument. The goal is to study the vibrational properties in the low-energy region. These measurements will be supported by ab-initio DFT lattice dynamics calculations and AIMD simulation to aid the interpretation of the experimental S(?) spectra.

Principal Investigator: Mr Jonathan Gebbia
Local Contact: Dr Gøran Nilsen
Experimenter: Dr Jose Luis Tamarit
Local Contact: Dr Duc Le
Experimenter: Dr Luis Carlos Pardo-Soto
Experimenter: Dr Claudio Cazorla

DOI: 10.5286/ISIS.E.RB2520388

ISIS Experiment Number: RB2520388

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:
Mr Jonathan Gebbia et al; (2026): Low-temperature glassy features in crystal phase of pentamethylchlorobenzene, PMCB, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2520388

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