Microscopic Structure of Liquid Nitric Oxide

Research output: Contribution to journalArticlepeer-review

Electronic versions

DOI

  • Sarantos Marinakis
    University of Patras, Patras
  • Cillian Cockrell
    Queen Mary University of London
  • Kostya Trachenko
    Queen Mary University of London
  • Thomas Headen
    ISIS Facility
  • Alan Soper
    ISIS Neutron and Muon Facility
The microscopic structure of nitric oxide is investigated using neutron scattering experiments. The measurements are performed at various temperatures between 120 and 144 K and at pressures between 1.1 and 9 bar. Using the technique of empirical potential structure refinement (EPSR), our results show that the dimer is the main form, around 80%, of nitric oxide in the liquid phase at 120 K, but the degree of dissociation to monomers increases with increasing temperature. The reported degree of dissociation of dimers, and its trend with increasing temperature, is consistent with earlier measurements and studies. It is also shown that nonplanar dimers are not inconsistent with the diffraction data and that the possibility of nitric oxide molecules forming longer oligomers, consisting of bonded nitrogen atoms along the backbone, cannot be ruled out in the liquid. A molecular dynamics simulation is used to compare the present EPSR simulations with an earlier proposed intermolecular potential for the liquid.
Original languageEnglish
Pages (from-to)9860-9870
JournalJournal of Physical Chemistry B
Volume126
Issue number47
Early online date18 Nov 2022
DOIs
Publication statusPublished - 1 Dec 2022
Externally publishedYes
View graph of relations