EDP Sciences
Free access
Issue
A&A
Volume 444, Number 2, December III 2005
Page(s) 629 - 634
Section Atomic, molecular and nuclear data
DOI http://dx.doi.org/10.1051/0004-6361:20053508


A&A 444, 629-634 (2005)
DOI: 10.1051/0004-6361:20053508

Hydrogen dissociation of naphthalene cations: a theoretical study

F. Jolibois1, A. Klotz2, 1, F. X. Gadéa3 and C. Joblin2

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)

Abstract
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




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