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
Authors | Marinakis, S., Cockrell, C., Trachenko, K., Headen, T. F. and Soper, A. K. |
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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. |
Journal | Journal of Physical Chemistry B |
Journal citation | 126 (47), pp. 9860-9870 |
ISSN | 1520-5207 |
Year | 2022 |
Publisher | American Chemical Society (ACS) |
Publisher's version | License File Access Level Anyone |
Supplemental file | File Access Level Anyone |
Digital Object Identifier (DOI) | https://doi.org/10.1021/acs.jpcb.2c05384 |
Publication dates | |
Online | 18 Nov 2022 |
Publication process dates | |
Deposited | 07 Dec 2022 |
Funder | Science and Technology Facilities Council |
Copyright holder | © 2022 The Authors |
https://repository.uel.ac.uk/item/8v5w6
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License: CC BY 4.0 | ||
File access level: Anyone |
Supplemental file
jp2c05384_si_001.pdf | ||
File access level: Anyone |
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