Microscopic Structure of Liquid Nitric Oxide

Article


Marinakis, S., Cockrell, C., Trachenko, K., Headen, T. F. and Soper, A. K. 2022. Microscopic Structure of Liquid Nitric Oxide. Journal of Physical Chemistry B. 126 (47), pp. 9860-9870. https://doi.org/10.1021/acs.jpcb.2c05384
AuthorsMarinakis, S., Cockrell, C., Trachenko, K., Headen, T. F. and Soper, A. K.
Abstract

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.

JournalJournal of Physical Chemistry B
Journal citation126 (47), pp. 9860-9870
ISSN1520-5207
Year2022
PublisherAmerican Chemical Society
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Anyone
Supplemental file
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Digital Object Identifier (DOI)https://doi.org/10.1021/acs.jpcb.2c05384
Publication dates
Online18 Nov 2022
Publication process dates
Deposited07 Dec 2022
FunderScience and Technology Facilities Council
Copyright holder© 2022 The Authors
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