title: Theoretical study of the electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part II. Dynamics consequences.
abstract: Nuclear dynamics is investigated theoretically from first principles by employing the ab initio vibronic models of the prototypical naphthalene and anthracene radical cations developed in Part I. This Part is primarily aimed at corroborating a large amount of available experimental data with a specific final goal to establish an unambiguous link with the current observations in astrophysics and astronomy. The detailed analyses presented here perhaps establish that these two prototypical polycyclic aromatic hydrocarbon radical cations are indeed potential carriers of the observed diffuse interstellar bands.
authors.affiliation: School of Chemistry, University of Hyderabad, Hyderabad 500 046, India.
authors.forename: S
authors.initials: S
authors.lastname: Ghanta
authors.forename: V Sivaranjana
authors.initials: VS
authors.lastname: Reddy
authors.forename: S
authors.initials: S
authors.lastname: Mahapatra
mesh_terms: D000873:Anthracenes / Q000737:chemistry*; D002412:Cations / Q000737:chemistry; D004583:Electrons; D005609:Free Radicals / Q000737:chemistry; D009281:Naphthalenes / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D000873:Anthracenes; D002412:Cations; D005609:Free Radicals; D009281:Naphthalenes; C031721:naphthalene; C034020:anthracene