| Issue |
A&A
Volume 444, Number 2, December III 2005
|
|
|---|---|---|
| Page(s) | 629 - 634 | |
| Section | Atomic, molecular, and nuclear data | |
| DOI | https://doi.org/10.1051/0004-6361:20053508 | |
| Published online | 25 November 2005 | |
Hydrogen dissociation of naphthalene cations: a theoretical study
1
Laboratoire de Physique Quantique, Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes, Université Paul Sabatier, 118 route de Narbonne, 31400 Toulouse, France
2
Centre d'Étude Spatiale des Rayonnements, Observatoire Midi Pyrénées, CNRS-UPS, 9 Av. du Colonel Roche, BP 4346, 31028 Toulouse Cedex 4, France e-mail: klotz@cesr.fr
3
Groupe NanoScience, CEMES, UPR 8011, 29 rue Jeanne Marvig, BP 4347, 31055 Toulouse Cedex 4, France
Received:
24
May
2005
Accepted:
15
June
2005
We present the computational results of removing mono and di-hydrogen atoms from the naphthalene cation. Calculations are performed at the B3LYP level with an extended basis. Two channels are studied, -H and -H2, and these processes are discussed within the frame of photodissociation of PAHs in the interstellar medium.
Key words: astrochemistry / molecular data / ISM: molecules
© ESO, 2005
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