Mant, B; Franz, J; Wester, R; Gianturco, FA; (2021) Beyond the helium buffer: C-12(2)- rotational cooling in cold traps with H-2 as a partner gas: interaction forces and quantum dynamics. Molecular Physics 10.1080/00268976.2021.1938267. (In press).

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Abstract

The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of 12 C−2 (2Σ+g) with H2 (1Σ+g) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are used to model the thermalisation dynamics of 12 C−2 using H2 as a buffer gas, a trap partner which is found here to be far more efficient than the typical buffer gas He and even more so than when using Ar as a partner gas. The microscopic physics underlying these findings is discussed in some detail. We additionally compute and discuss 12 C−2 quadrupole transitions by spontaneous emission and use the newly computed rates to show that the anion's rotational levels should be in local thermal equilibrium at typical interstellar conditions.

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