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Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modelled using explicit all-atom potentials using a rigid body approximation. The PAH's considered range from pyrene (C10H8) to circumcoronene (C54H18), and clusters containing…

Chemical Physics · Physics 2016-09-28 M. Rapacioli , F. Calvo , F. Spiegelman , C. Joblin , D. J. Wales

Naphthalene (C10H8) is the simplest polycyclic aromatic hydrocarbon (PAH) and an important component in a series of astrochemical reactions involving hydrocarbons. Its molecular charge state affects the stability of its isomeric structures,…

We have studied the interaction of polyaromatic hydrocarbons (PAHs) with the basal plane of graphite using thermal desorption spectroscopy. Desorption kinetics of benzene, naphthalene, coronene and ovalene at sub-monolayer coverages yield…

Materials Science · Physics 2009-11-10 Renju Zacharia , Hendrik Ulbricht , Tobias Hertel

Complex organic molecules (COMs) have been identified toward high- and low-mass protostars as well as molecular clouds, suggesting that these interstellar species originate from the early stage(s) of starformation. The reaction pathways…

Solar and Stellar Astrophysics · Physics 2020-04-08 K. -J. Chuang , G. Fedoseev , D. Qasim , S. Ioppolo , C. Jäger , Th. Henning , M. E. Palumbo , E. F. van Dishoeck , H. Linnartz

Recent experiments demonstrated that interfacial water dissociation (H2O = H+ + OH-) could be accelerated exponentially by an electric field applied to graphene electrodes, a phenomenon related to the Wien effect. Here we report an…

Polarized infrared emission from polycyclic aromatic hydrocarbons (PAHs) is important for testing the basic physics of alignment of ultrasmall grains and potentially offers a new way to trace magnetic fields. In this paper, a new model of…

Astrophysics of Galaxies · Physics 2017-12-15 Thiem Hoang

The life cycle of the population of interstellar polycyclic aromatic hydrocarbon (PAH) molecules depends partly on the photostability of the individual species. We have studied the dissociative photoionization of two ethynyl-substituted PAH…

Context: PAHs are thought to be a ubiquitous and important dust component of the interstellar medium. However, the effects of their immersion in a hot (post-shock) gas have never before been fully investigated. Aims: We study the effects of…

Astrophysics of Galaxies · Physics 2015-05-14 E. R. Micelotta , A. P. Jones , A. G. G. M. Tielens

Realizing systems that support robust, controlled interactions between individual photons is an exciting frontier of nonlinear optics. To this end, one approach that has emerged recently is to leverage atomic interactions to create strong…

Quantum Physics · Physics 2016-08-11 James S. Douglas , Tommaso Caneva , Darrick E. Chang

Following our initial discovery of blue luminescence in the spectrum of the Red Rectangle (RR) and its identification as fluorescence by small three- to four-ringed polycyclic aromatic hydrocarbon (PAH) molecules, we report on the spatial…

Astrophysics · Physics 2009-11-10 Uma P. Vijh , Adolf N. Witt , Karl D. Gordon

We present a conspectus of recent joint spectroscopic and computational studies which provided novel insight into the photochemistry of hydrogen-bonded complexes of the heptazine (Hz) chromophore with hydroxylic substrate molecules (water…

Chemical Physics · Physics 2020-07-01 Wolfgang Domcke , Andrzej L. Sobolewski , Cody W. Schlenker

It is shown that the M$^{2+}$ ion yield in the double photoionization of the aromatic hydrocarbons, pyrene and coronene, can be expressed as a superposition of a contribution from a resonance involving carbon atoms on the perimeter and…

Chemical Physics · Physics 2020-01-23 David L. Huber , Ralf Wehlitz

We report on a common fragment ion formed during the electron-ionization-induced fragmentation of three different three-ring polycyclic aromatic hydrocarbons (PAHs), fluorene (C$_{13}$H$_{10}$), 9,10-dihydrophenanthrene (C$_{14}$H$_{12}$),…

Astrophysics of Galaxies · Physics 2020-03-27 A. Petrignani , M. Vala , J. R. Eyler , A. G. G. M. Tielens , G. Berden , A. F. G. van der Meer , B. Redlich , J. Oomens

Oxygen atom addition and insertion reactions may provide a pathway to chemical complexity in ices that are too cold for radicals to diffuse and react. We have studied the ice-phase reactions of photo-produced oxygen atoms with C2…

Earth and Planetary Astrophysics · Physics 2019-04-03 Jennifer B. Bergner , Karin I. Oberg , Mahesh Rajappan

Polycyclic Aromatic Hydrocarbons (PAHs) are organic molecules responsible for the Aromatic Infrared Bands (AIBs), observed across a multitude of astrophysical environments. Despite their ubiquity, the precise formation mechanisms of PAHs…

We study the spatial distribution and chemistry of small hydrocarbons in the Orion Bar PDR. We used the IRAM-30m telescope to carry out a millimetre line survey towards the Orion Bar edge, complemented with ~2'x2' maps of the C2H and c-C3H2…

Astrophysics of Galaxies · Physics 2015-03-04 S. Cuadrado , J. R. Goicoechea , P. Pilleri , J. Cernicharo , A. Fuente , C. Joblin

Polycyclic aromatic hydrocarbons (PAHs) are believed to be ubiquitous in the interstellar medium. Yet, to date no specific PAH molecule has been identified. In this paper, a new observational avenue is suggested to detect individual PAHs,…

Astrophysics of Galaxies · Physics 2015-08-21 Yacine Ali-Haïmoud

Various studies have emphasized variations of the charge state and composition of the interstellar polycyclic aromatic hydrocarbon (PAH) population in photodissociation regions (PDRs). We aim to model the spatial evolution of the charge and…

Astrophysics of Galaxies · Physics 2015-06-12 J. Montillaud , C. Joblin , D. Toublanc

The recent wave of detections of interstellar aromatic molecules has sparked interest in the chemical behavior of aromatic molecules under astrophysical conditions. In most cases, these detections have been made through chemically related…

Astrophysics of Galaxies · Physics 2021-07-07 April M. Miksch , Annalena Riffelt , Ricardo Oliveira , Johannes Kästner , Germán Molpeceres

The competition between the formation and destruction of coronene clusters under interstellar conditions is investigated theoretically. The unimolecular nucleation of neutral clusters is simulated with an atomic model combining an explicit…

Astrophysics · Physics 2009-11-11 M. Rapacioli , F. Calvo , C. Joblin , P. Parneix , D. Toublanc , F. Spiegelman
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