Formation of the acenaphthylene cation as a common C<sub>2</sub>H<sub>2</sub>-loss fragment in dissociative ionization of the PAH isomers anthracene and phenanthrene
Shreyak Banhatti, Daniël B. Rap, Aude Simon, Héloïse Leboucher, Gabi Wenzel, C. Joblin, Britta Redlich, Stephan Śchlemmer, Sandra Brünken
Abstract
This study uses cryogenic infrared spectroscopy combined with quantum-chemical and molecular dynamics calculations to elucidate the acetylene-loss fragmentation pathway in the dissociative ionization of two isomeric polycyclic aromatic hydrocarbons.
Topics & Concepts
AcenaphthyleneChemistryAnthraceneFragmentation (computing)Polycyclic aromatic hydrocarbonPhotochemistryPhenanthreneDissociation (chemistry)IonAstrochemistryIonizationInterstellar mediumPhysical chemistryPhysicsOrganic chemistryAstrophysicsOperating systemGalaxyComputer scienceAstrophysics and Star Formation StudiesAtomic and Molecular PhysicsMolecular Spectroscopy and Structure