Molecular Growth Inside of Polycyclic Aromatic Hydrocarbon Clusters Induced by Ion Collisions

• DOI: 10.1021/acs.jpclett.5b00405
• Publication Date: 2015-04-08T18:08:03Z
• Authors: Rudy Delaunay; Michael Gatchell; Patrick Rousseau; Alicja Domaracka; Sylvain Maclot; Yang Wang; Mark H. Stockett; Tao Chen; Lamri Adoui; Manuel Alcamí; Fernando Martín; Henning Zettergren; Henrik Cederquist; Bernd A. Huber
• Keywords: Polycyclic aromatic hydrocarbon

The present work combines experimental and theoretical studies of the collision between keV ion projectiles clusters pyrene, one simplest polycyclic aromatic hydrocarbons (PAHs). Intracluster growth processes induced by collisions lead to formation a wide range new molecules with masses larger than that pyrene molecule. efficiency these is found strongly depend on mass velocity incoming projectile. Classical molecular dynamics simulations entire process—from impact (nuclear scattering) species—reproduce essential features measured process also yield estimates related absolute cross sections. More elaborate density functional tight binding calculations same products as classical simulations. results could be relevant understand physical chemistry PAH-rich upper atmosphere Saturn's moon Titan.