Issue 41, 2021

Rotational (de)-excitation of C5 by collision with He at low temperature

Abstract

An appropriate estimation of the abundance of the observed C5 radical in the interstellar medium requires accurate radiative and collisional rate coefficients. We present the first two-dimensional potential energy surface (2D-PES) for the ground electronic state of the C5(X1Σ+)–He(X1S) van der Waals system, obtained using an explicitly correlated coupled-cluster method with single, double, and perturbative triple excitations (RCCSD(T)-F12). This PES is subsequently used in quantum close-coupling (CC) scattering calculations. Collisional excitation cross-sections of the rotational levels of C5 by He were calculated for energies up to 1500 cm−1 using the standard (CC) method. The thermal dependence of the corresponding rate coefficients is given for the low and moderate temperature T ≤ 300 K regime of interstellar molecular clouds. This is the first study on the collisional rate coefficients for this system and may have important implications for the astrophysical detection of C5(X1Σ+) and modeling of carbon-rich media.

Graphical abstract: Rotational (de)-excitation of C5 by collision with He at low temperature

Article information

Article type
Paper
Submitted
12 Jun 2021
Accepted
19 Aug 2021
First published
13 Oct 2021

Phys. Chem. Chem. Phys., 2021,23, 23741-23747

Rotational (de)-excitation of C5 by collision with He at low temperature

A. Chefai, M. Ben Khalifa, F. Khadri and K. Hammami, Phys. Chem. Chem. Phys., 2021, 23, 23741 DOI: 10.1039/D1CP02652F

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