Rotational relaxation of CF+(X1Σ) in collision with He(1S)

Denis-Alpizar O.; Inostroza N.; Palacio J.C.C.

dc.contributor.author	Denis-Alpizar O.
dc.contributor.author	Inostroza N.
dc.contributor.author	Palacio J.C.C.
dc.date.accessioned	2020-09-02T22:16:16Z
dc.date.available	2020-09-02T22:16:16Z
dc.date.issued	2018
dc.identifier	10.1093/mnras/stx2422
dc.identifier.citation	473, 2, 1438-1443
dc.identifier.issn	00358711
dc.identifier.uri	https://hdl.handle.net/20.500.12728/4258
dc.description	The carbon monofluoride cation (CF+) has been detected recently in Galactic and extragalactic regions. Therefore, excitation rate coefficients of this molecule in collision with He and H2 are necessary for a correct interpretation of the astronomical observations. The main goal of this work is to study the collision of CF+ with He in full dimensionality at the close-coupling level and to report a large set of rotational rate coefficients. New ab initio interaction energies at the CCSD(T)/aug-cc-pv5z level of theory were computed, and a three-dimensional potential energy surface was represented using a reproducing kernel Hilbert space. Close-coupling scattering calculations were performed at collisional energies up to 1600 cm-1 in the ground vibrational state. The vibrational quenching cross-sections were found to be at least three orders of magnitude lower than the pure rotational cross-sections. Also, the collisional rate coefficients were reported for the lowest 20 rotational states of CF+ and an even propensity rule was found to be in action only for j > 4. Finally, the hyperfine rate coefficients were explored. These data can be useful for the determination of the interstellar conditions where this molecule has been detected. © 2016 The Authors.
dc.language.iso	en
dc.publisher	Oxford University Press
dc.subject	Astrochemistry
dc.subject	ISM: molecules
dc.subject	Molecular data
dc.subject	Molecular processes
dc.subject	Scattering
dc.title	Rotational relaxation of CF+(X1Σ) in collision with He(1S)
dc.type	Article