First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar physics

Reddy, Sivaranjana V. ; Ghanta, S. ; Mahapatra, S. (2010) First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar physics Physical Review Letters, 104 (11). Article ID 111102. ISSN 0031-9007

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Official URL: http://journals.aps.org/prl/abstract/10.1103/PhysR...

Related URL: http://dx.doi.org/10.1103/PhysRevLett.104.111102

Abstract

Inspired by the recent astronomical discovery of new diffused interstellar bands (DIBs) assigned to the electronic transitions in the naphthalene radical cation based on complementary laboratory measurements, we attempt here an ab initio quantum dynamical study to validate this assignment. In addition, the existence and mechanistic details of nonradiative deactivation of electronically excited polycyclic aromatic hydrocarbon (PAH) radical cations in the interstellar medium and their identity as carriers of DIBs are established here focusing on the prototypical naphthalene and anthracene radical cations of the PAH family.

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ID Code:98666
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