Banks, HIB;
Little, DA;
Tennyson, J;
Emmanouilidou, A;
(2017)
Interaction of molecular nitrogen with free-electron-laser radiation.
Physical Chemistry Chemical Physics
, 19
(30)
pp. 19794-19806.
10.1039/c7cp02345f.
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Abstract
We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N2 with Free-Electron-Laser (FEL) pulses. The nuclei are kept fixed. We formulate rate equations for the energetically allowed molecular and atomic transitions and we account for dissociation through additional terms in the rate equations. Solving these equations for different parameters of the FEL pulse, allows us to identify the most efficient parameters of the FEL pulse for obtaining the highest contribution of double core hole states (DCH) in the final atomic ion fragments. Finally we identify the contribution of DCH states in the electron spectra and show that the DCH state contribution is more easily identified in the photo-ionization rather than the Auger transitions.
| Type: | Article |
|---|---|
| Title: | Interaction of molecular nitrogen with free-electron-laser radiation |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1039/c7cp02345f |
| Publisher version: | https://doi.org/10.1039/c7cp02345f |
| Language: | English |
| Additional information: | This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. |
| Keywords: | Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, Auger-Electron, Spectroscopy, Spectra, Core, Decay, Hole, N-2, N2O, CO2 |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10054332 |
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