Litcius/Paper detail

PAH Growth in Flames and Space: Formation of the Phenalenyl Radical

Zachariah D. Levey, Benjamin Laws, Srivathsan P. Sundar, Klaas Nauta, Scott H. Kable, Gabriel da Silva, John F. Stanton, Timothy W. Schmidt

2021The Journal of Physical Chemistry A21 citationsDOIOpen Access PDF

Abstract

Polycyclic aromatic hydrocarbons (PAHs) are intermediates in the formation of soot particles and interstellar grains. However, their formation mechanisms in combustion and interstellar environments are not fully understood. The production of tricyclic PAHs and, in particular, the conversion of a PAH containing a five-membered ring to one with a six-membered ring are of interest to explain PAH abundances in combustion processes. In the present work, resonant ionization mass spectrometry in conjunction with isotopic labeling is used to investigate the formation of the phenalenyl radical from acenaphthylene and methane in an electrical discharge. We show that in this environment the CH cycloaddition mechanism converts a five-membered ring to a six-membered ring. This mechanism can occur in tandem with other PAH formation mechanisms such as hydrogen abstraction/acetylene addition (HACA) to produce larger PAHs in flames and the interstellar medium.

Topics & Concepts

AcenaphthyleneChemistryPhotochemistryRing (chemistry)AcetyleneMethanePolycyclic aromatic hydrocarbonCycloadditionHydrogen atom abstractionSootMass spectrometryIonizationAromaticityCombustionRadicalOrganic chemistryIonMoleculeNaphthaleneChromatographyCatalysisAdvanced Combustion Engine TechnologiesAtmospheric chemistry and aerosolsVehicle emissions and performance