Publication: Quantum dynamics of C7N- and C10H- anions in collision with H2 at interstellar medium conditions
Program
KU-Authors
KU Authors
Co-Authors
Giri, K.
Lourderaj, U.
Rana, S.
González-Sánchez, L.
Daria, A. M. Santa
Sathyamurthy, N.
Wester, R.
Gianturco, F. A.
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No
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Abstract
We present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N- and C10H-, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed.
Source
Publisher
AIP Publishing
Subject
Chemistry, Physics, Molecular and chemical
Citation
Has Part
Source
Journal of Chemical Physics
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Edition
DOI
10.1063/5.0292750
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CC BY-NC-ND (Attribution-NonCommercial-NoDerivs)
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Creative Commons license
Except where otherwised noted, this item's license is described as CC BY-NC-ND (Attribution-NonCommercial-NoDerivs)

