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Quantum Chemistry

Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions

DOAJ
Authors: Bhargava Anusuri, T. J. Dhilip Kumar, Sanjay Kumar

Year

2021

Paper ID

15563

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

101

Citations

0

Abstract

Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X2Σ+) by H+ scattering are studied by the exact quantum mechanical close-coupling (CC) method at very low collision energies (0–600 cm−1) relevant to interstellar atmospheres. Ab initio rigid rotor potential energy surface computed at MRCI/cc-pVTZ level of accuracy has been employed. Rate coefficients for the rotational excitations have also been calculated. The obtained results are compared with previous theoretical calculations and analyzed whether proton collisions could be significant sources for rotationally excited CN as a possible source for cosmic microwave background of about 3 K from the interstellar media.

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  • Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X2Σ+) by H+ scattering are studied by the exact quantum mechanical...

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References & Citation Signals

[1] DOI https://doi.org/10.3389/fchem.2021.790416 [2] Publisher https://www.frontiersin.org/articles/10.3389/fchem.2021.790416/full

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