Theoretical study of the electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part II. Dynamics consequences.

摘要: Nuclear dynamics is investigated theoretically from first principles by employing the ab initio vibronic models of prototypical naphthalene and anthracene radical cations developed in Part I. This primarily aimed at corroborating a large amount available experimental data with specific final goal to establish an unambiguous link current observations astrophysics astronomy. The detailed analyses presented here perhaps that these two polycyclic aromatic hydrocarbon are indeed potential carriers observed diffuse interstellar bands.