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Rotationally inelastic processes of C-2(-) ((2)Sigma(+)(g)) colliding with He (S-1) at low temperatures: ab initio interaction potential, state changing rates and kinetic modelling

Mant, BP; Gianturco, FA; Gonzalez-Sanchez, L; Yurtsever, E; Wester, R; (2020) Rotationally inelastic processes of C-2(-) ((2)Sigma(+)(g)) colliding with He (S-1) at low temperatures: ab initio interaction potential, state changing rates and kinetic modelling. Journal of Physics B: Atomic, Molecular and Optical Physics , 53 (2) , Article 025201. 10.1088/1361-6455/ab574f. Green open access

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Abstract

We discuss in detail the quantum rotationally inelastic dynamics of an important anion often discussed as a possible constituent of the interstellar medium (ISM) and in different environments of circumstellar envelopes: the ${{\rm{C}}}_{2}^{-}$ molecular ion. Its interaction forces with one of the most abundant atoms of the ISM, the neutral helium atom, are obtained for the first time using ab initio quantum chemistry methods. The overall angular anisotropy of the potential energy surface is analysed in order to link its features with the efficiency of transferring energy from the abundant He atoms to the internal rotational levels of this molecular anion. Calculations of the corresponding rotational state-to-state inelastic cross sections, for both excitation and de-excitation paths are obtained by using a multichannel quantum method. The corresponding inelastic rates at the temperatures of interest are determined and their role in distributing molecular states over the different populations of the rotational levels at the temperatures of that environment is discussed. These computed rates are also linked to the dynamical behaviour of the title molecule when confined in cold ion traps and made to interact with He as the common buffer gas, in preparation for state-selective photo-detachment experiments.

Type: Article
Title: Rotationally inelastic processes of C-2(-) ((2)Sigma(+)(g)) colliding with He (S-1) at low temperatures: ab initio interaction potential, state changing rates and kinetic modelling
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/1361-6455/ab574f
Publisher version: https://doi.org/10.1088/1361-6455/ab574f
Language: English
Additional information: Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
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/10101633
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