Rotational Transitions of CO+ Induced by Atomic Hydrogen

Andersson, Stefan,1973Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry (author)

The CO+ molecular ion has been observed in photon-dominated regions. Recent modeling has not been able to explain the abundances of CO+ in these regions. The most abundant collision partners are believed to be hydrogen atoms, hydrogen molecules, and electrons. The reactions of these species with CO+ have been studied previously and found to be fast. The only inelastic processes studied before were collisions of CO+ with electrons. Here we investigate the inelastic collisions of CO+ with hydrogen atoms. We argue that this can be done on the lowest triplet electronic state. This implies that CO+ ions, in a hydrogen atom dominated surrounding, experiences a few inelastic collisions before reacting. Rotationally inelastic state-to-state cross sections ( ) are presented together with state-resolved thermal rate coefficients. The results suggest that the rotationally inelastic collision cross sections can be of comparable magnitude to the reactive ones. Implications for the rotational temperature of CO+ in PDRs are discussed. To perform the calculations, a potential energy surface is fitted using the reproducing-kernel Hilbert space method based on multireference configuration-interaction calculations employing the aug-cc-pVQZ basis set.

Barinovs, Girts (author)
Nyman, Gunnar,1957Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry(Swepub:gu)xnymgu (author)
Göteborgs universitetInstitutionen för kemi (creator_code:org_t)

In:The Astrophysical Journal: American Astronomical Society678, s. 1042-10480004-637X1538-4357

By the author/editor: Andersson, Stefa ...; Barinovs, Girts; Nyman, Gunnar, 1 ...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Chemical Science ...; and Theoretical Chem ...

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Astronomy Astrop ...

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Atom and Molecul ...

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