Rotational relaxation of CF+ by collision with para-H2

Denis-Alpizar O.; Rubayo-Soneira J.

dc.contributor.author	Denis-Alpizar O.
dc.contributor.author	Rubayo-Soneira J.
dc.date.accessioned	2020-09-02T22:16:16Z
dc.date.available	2020-09-02T22:16:16Z
dc.date.issued	2019
dc.identifier	10.1093/mnras/stz928
dc.identifier.citation	486, 1, 1255-1259
dc.identifier.issn	00358711
dc.identifier.uri	https://hdl.handle.net/20.500.12728/4260
dc.description	The recent detections of CF+ and its proposition as a tracer of fluorine and C+ in the interstellar medium (ISM) have increased the interest in this system. For a correct interpretation of physical-chemical conditions of the regions where this molecule is observed, its collisional rate coefficients with the most common colliders of the ISM are required. The main goal of this work is to study the collision of CF+ with para-H2 (j = 0) and report a large set of rotational rate coefficients for this system. A new averaged potential energy surface (PES) from ab initio energies at the CCSD(T)-F12/aug-cc-pVTZ level of theory was developed for this work. Close-coupling scattering calculations were performed for the lowest 20 rotational levels of CF+. The rotational rate coefficients from 10 K to 300 K are reported. Discrepancies of these new rates with those estimated from CF+ + He were found for both magnitude and propensity rules. For CF+ + para-H2, Δj =-1 have the most significant values, and the rates decrease with the increment of Δj. The new data here determined can be useful for modeling the conditions of the ISM where CF+ has been observed. © 2019 The Author(s) Published by Oxford University Press on behalf of the Royal Astronomical Society.
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+ by collision with para-H2
dc.type	Article