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Collision-driven state-changing efficiency of different buffer gases in cold traps: He(¹S), Ar(¹S) and p-H₂(¹Σ) on trapped CN-(¹Σ)

González-Sánchez, L; Yurtsever, E; Mant, BP; Wester, R; Gianturco, FA; (2020) Collision-driven state-changing efficiency of different buffer gases in cold traps: He(¹S), Ar(¹S) and p-H₂(¹Σ) on trapped CN-(¹Σ). Physical Chemistry Chemical Physics 10.1039/d0cp03440a. (In press). Green open access

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Abstract

We employ potential energy surfaces (PES) from ab initio quantum chemistry methods to describe the interaction of the CN^{-}({1}^Σ) molecule, one of the small anions often studied at low temperatures, with other possible gases which can be employed as buffer in cold ion traps: the He and Ar atoms and the p-H-{2} molecule. These PESs are used to calculate from quantum multichannel dynamics the corresponding state-changing rate constants between the populated rotational states of the anion, the latter being in its electronic and vibrational ground states. The different cross sections for the collision-driven quenching and excitation processes at low temperatures are compared and further used to model CN^{-} cooling (de-excitation) efficiency under different trap conditions. The interplay of potential coupling strength and mass-scaling effects is discussed to explain the differences of behaviour among the buffer gases. The advantages of being able to perform collisional cooling at higher trap temperatures when using Ar and p-H_{2} as buffer gases are also discussed.

Type: Article
Title: Collision-driven state-changing efficiency of different buffer gases in cold traps: He(¹S), Ar(¹S) and p-H₂(¹Σ) on trapped CN-(¹Σ)
Location: England
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/d0cp03440a
Publisher version: https://doi.org/10.1039/D0CP03440A
Language: English
Additional information: © Royal Society of Chemistry 2020. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence (http://creativecommons.org/licenses/by-nc/3.0/).
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 Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10108689
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