What Will Photo-Processing of Large, Ionized Amino-Substituted Polycyclic Aromatic Hydrocarbons Produce in the Interstellar Medium?

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ID: 31927
2019
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Abstract
Collision-energy resolved tandem mass spectrometry was used to probe the trends in unimolecular fragmentation in a series of ionized amino-substituted polycyclic aromatic hydrocarbons ranging from naphthalene to pyrene. As the ring system expands, the dominant dissociation process changes from HNC loss (aniline) to H loss for 1-aminopyrene. Imaging photoelectron photoion coincidence spectroscopy of 1-aminopyrene yielded threshold photon-energy resolved breakdown curves, the Rice-Ramsperger-Kassel-Marcus modeling of which gave a 0 K activation energy, E, for H loss of 3.8 ± 0.4 eV. Calculations at the CCSD/6-31G(d)//B3LYP/6-31G(d) level of theory were used to explore the possible reaction mechanisms for H, HNC, and C,N,H losses, and details of the reaction pathways are presented. The H atom loss was found to be due both to direct N-H bond cleavage and isomerization to form an azepine derivative.
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burner2019whatthe Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Burner, Jake;West, Brandi J;Mayer, Paul M;
Journal the journal of physical chemistry a
Year 2019
DOI
10.1021/acs.jpca.9b02395
URL
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