Mant, BP;
Gianturco, FA;
Wester, R;
González-Sánchez, L;
Yurtsever, E;
(2020)
Thermalization of C− 2 with Noble Gases in Cold Ion Traps.
International Journal of Mass Spectrometry
, 457
, Article 116426. 10.1016/j.ijms.2020.116426.
(In press).
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Abstract
The potential energy surfaces for C�2(2Sþg) interacting with He, Ne and Ar are calculated usingab initioquantum chemistry methods. The PES are used to carry out coupled-channel quantum scattering cal-culations for the three systems to obtain the rotationally inelastic scattering cross sections from whichthe rotationally inelastic state-changing rate coefficients are computed. These rate coefficients are thenused to compute thermalisation times of C�2in an ion trap employing He, Ne or Ar as different, andpossible, buffer gases. A detailed analysis of their comparative collisional efficiencies is presented forguidance in trap modeling studies
| Type: | Article |
|---|---|
| Title: | Thermalization of C− 2 with Noble Gases in Cold Ion Traps |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.ijms.2020.116426 |
| Publisher version: | https://doi.org/10.1016/j.ijms.2020.116426 |
| Language: | English |
| Additional information: | ©2020 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY-NC-NDlicense (http://creativecommons.org/licenses/by-nc-nd/4.0/) |
| Keywords: | Ion traps, Inelastic scattering, Potential energy surfaces, Quantum dynamics |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices 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 Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10111901 |
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