ISIS Neutron and Muon Source Data Journal

Investigating Nuclear Quantum Effects in Nicotine and Deuterated Nicotine via Neutron Compton Scattering

Abstract: Nuclear quantum effects (NQEs), including zero-point motion and quantum delocalization, strongly influence the structural and dynamical properties of hydrogen-containing molecules. Nicotine offers an ideal framework for probing these effects due to its complex hydrogen-bonding network and biological relevance. This study aims to directly quantify NQEs in nicotine and its deuterated analogue using Neutron Compton Scattering (NCS) on the VESUVIO spectrometer. NCS provides direct access to nuclear momentum distributions and quantum kinetic energies, enabling separation of isotope-dependent quantum behaviours. Measurements will be performed across the liquid-supercooled-solid phase transition , allowing resolution of quantum dynamical changes accompanying glass formation and crystallization. Complementary total neutron cross-section data will monitor phase evolution, and vibrational insights from TOSCA inelastic neutron spectrometer will support NCS results.

Local Contact: Dr Anna Marsicano

DOI: 10.5286/ISIS.E.RB2610152

ISIS Experiment Number: RB2610152

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 Anna Marsicano; (2026): Investigating Nuclear Quantum Effects in Nicotine and Deuterated Nicotine via Neutron Compton Scattering , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610152

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