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Updated: Jun 14, 2026

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon
V Sivaranjana Reddy1, S Ghanta, S Mahapatra
1School of Chemistry & ACRHEM, University of Hyderabad, Hyderabad 500 046, India.
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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