First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar physics.
作者： V. Sivaranjana Reddy , S. Ghanta , S. Mahapatra
DOI: 10.1103/PHYSREVLETT.104.111102
关键词:
摘要: Inspired by the recent astronomical discovery of new diffused interstellar bands (DIBs) assigned to electronic transitions in naphthalene radical cation based on complementary laboratory measurements, we attempt here an ab initio quantum dynamical study validate this assignment. In addition, existence and mechanistic details nonradiative deactivation electronically excited polycyclic aromatic hydrocarbon (PAH) cations medium their identity as carriers DIBs are established focusing prototypical anthracene PAH family.
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