Formation of the acenaphthylene cation as a common C2H2-loss fragment in dissociative ionization of the PAH isomers anthracene and phenanthrene

Author:

Banhatti Shreyak1,Rap Daniël B.2ORCID,Simon Aude3ORCID,Leboucher Heloïse3ORCID,Wenzel Gabi4,Joblin Christine5ORCID,Redlich Britta2,Schlemmer Stephan1ORCID,Brünken Sandra2ORCID

Affiliation:

1. I. Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, 50937 Köln, Germany

2. Institute for Molecules and Materials, FELIX Laboratory, Radboud University, Toernooiveld 7, 6525 ED, Nijmegen, The Netherlands

3. Laboratoire de Chimie et Physique Quantiques (LCPQ), Fédération FeRMI, CNRS & Université Toulouse III – Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse, France

4. Center for Interstellar Catalysis (InterCat), Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, 8000 Aarhus C, Denmark

5. Institut de Recherche en Astrophysique et Planétologie (IRAP), Université Toulouse III – Paul Sabatier, CNRS, CNES, 9 Avenue du Colonel Roche, 31028 Toulouse, France

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.

Funder

H2020 Marie Skłodowska-Curie Actions

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Deutsche Forschungsgemeinschaft

Seventh Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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