Publication:
Thermalisation of C2− with noble gases in cold ion traps

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Mant, Barry P.
Gianturco, Franco A.
Wester, Roland
Gonzalez-Sanchez, Lola

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NO

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Abstract

The potential energy surfaces for C2− (Σg+2) interacting with He, Ne and Ar are calculated using ab initio quantum chemistry methods. The PES are used to carry out coupled-channel quantum scattering calculations for the three systems to obtain the rotationally inelastic scattering cross sections from which the rotationally inelastic state-changing rate coefficients are computed. These rate coefficients are then used to compute thermalisation times of C2− in an ion trap employing He, Ne or Ar as different, and possible, buffer gases. A detailed analysis of their comparative collisional efficiencies is presented for guidance in trap modeling studies.

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Elsevier

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Physics, atomic, molecular and chemical, Spectroscopy

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International Journal of Mass Spectrometry

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DOI

10.1016/j.ijms.2020.116426

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