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Göteborgs universitets publikationer

Rotational Transitions of CO+ Induced by Atomic Hydrogen

Författare och institution:
Stefan Andersson (Institutionen för kemi); Girts Barinovs (-); Gunnar Nyman (Institutionen för kemi)
Publicerad i:
The Astrophysical Journal, 678 s. 1042-1048
Artikel, refereegranskad vetenskaplig
Sammanfattning (abstract):
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.
Ämne (baseras på Högskoleverkets indelning av forskningsämnen):
Fysik ->
Atom- och molekylfysik och optik ->
Fysik ->
Astronomi, astrofysik och kosmologi
Kemi ->
Teoretisk kemi
Postens nummer:
Posten skapad:
2008-12-15 14:18
Posten ändrad:
2010-03-10 11:58

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