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Curved polycyclic aromatic hydrocarbons (PAHs) exhibit distinctive geometric and electronic structures, rendering them highly promising in addressing issues of solubility and air stability, which are faced for large linear arene…

Chemical Physics · Physics 2025-05-27 Hengyu Jin , Xiaoqi Sun , Guiya Qin , Zhipeng Tong , Rui Wang , Qi Zhao , Ai-Min Ren , Jingfu Guo

Based on theoretical spectra computed using Density Functional Theory we study the properties of Polycyclic Aromatic Hydrocarbons (PAH). In particular using bin-average spectra of PAH molecules with varying number of carbons we investigate…

Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio between ionization and fragmentation is poorly…

The physical and chemical conditions in photodissociation regions (PDRs) are largely determined by the influence of far ultraviolet radiation. Far-UV photons can efficiently dissociate molecular hydrogen, a process that must be balanced at…

Astrophysics of Galaxies · Physics 2018-06-08 P. Castellanos , A. Candian , H. Andrews , A. G. G. M. Tielens

The infrared signatures of polycyclic aromatic hydrocarbons (PAHs) are observed in a variety of astrophysical objects, including the circumnuclear medium of active galactic nuclei (AGNs). These are sources of highly energetic photons (0.2…

Infrared (IR) absorption spectra of individual polycyclic aromatic hydrocarbons (PAHs) containing methyl (-CH3), methylene (>CH2), or diamond-like *CH groups and IR spectra of mixtures of methylated and hydrogenated PAHs prepared by gas…

The electronic spectra of gas-phase cationic polycyclic aromatic hydrocarbons (PAHs), trapped in the Fourier Transform Ion Cyclotron Resonance cell of the PIRENEA experiment, have been measured by multiphoton dissociation spectroscopy in…

Chemical Physics · Physics 2015-03-13 F. Useli-Bacchitta , A. Bonnamy , G. Mulas , G. Malloci , D. Toublanc , C. Joblin

In this Letter we report the results of density functional theory calculations on medium-sized neutral Polycyclic Aromatic Hydrocarbon (PAH) molecules with armchair edges. These PAH molecules possess strong C-H stretching and bending modes…

Astrophysics of Galaxies · Physics 2014-10-09 A. Candian , P. J. Sarre , A. G. G. M. Tielens

We present a new method to decompose the emission features of polycyclic aromatic hydrocarbons (PAHs) from mid-infrared spectra using theoretical PAH templates in conjunction with modified blackbody components for the dust continuum and an…

Astrophysics of Galaxies · Physics 2018-06-26 Yanxia Xie , Luis C. Ho , Aigen Li , Jinyi Shangguan

The 2175 \AA\ UV extinction feature was discovered in the mid-1960s, yet its physical origin remains poorly understood. One suggestion is absorption by Polycyclic Aromatic Hydrocarbons (PAH) molecules, which is supported by theoretical…

Astrophysics of Galaxies · Physics 2017-02-22 Avi Blasberger , Ehud Behar , Hagai B. Perets , Noah Brosch , Alexander G. G. M. Tielens

The amount of deuterium locked up in polycyclic aromatic hydrocarbons (PAHs) has to date been an uncertain value. We present a near-infrared (NIR) spectroscopic survey of HII regions in the Milky Way, Large Magellanic Cloud (LMC), and Small…

Astrophysics of Galaxies · Physics 2016-01-27 Kirstin D. Doney , Alessandra Candian , Tamami Mori , Takashi Onaka , A. G. G. M. Tielens

As a part of interstellar dust, polycyclic aromatic hydrocarbons (PAHs) are processed by the interaction with vacuum ultraviolet (VUV) photons that are emitted by hot young stars. This interaction leads to the emission of the well-known…

A gas-phase optical spectrum of a large polycyclic aromatic hydrocarbon (PAH) cation - C78H26 +- in the 410-610 nm range is presented. This large all-benzenoid PAH should be large enough to be stable with respect to photodissociation in the…

Instrumentation and Methods for Astrophysics · Physics 2015-12-04 Junfeng Zhen , Giacomo Mulas , Anthony Bonnamy , Christine Joblin

Aim. We investigate the role of PAHs as a sink for deuterium in the interstellar medium and study UV photolysis as a potential process in the variations of the deuterium fractionation in the ISM. Methods. The UV photo-induced fragmentation…

Solar and Stellar Astrophysics · Physics 2020-01-28 S. D. Wiersma , A. Candian , J. M. Bakker , G. Berden , J. Oomens , W-J. Buma , A. Petrignani

Recognized as important interstellar constituents, polycyclic aromatic hydrocarbons (PAHs) have been intensively studied in astrochemistry and their spectroscopy, thermodynamics, dynamics, and fragmentations are now amply documented. There…

Chemical Physics · Physics 2017-06-13 Georges Trinquier , Aude Simon , Mathias Rapacioli , Florent Xavier Gadéa

The interaction of polycyclic aromatic hydrocarbons (PAHs) with vacuum ultraviolet (VUV) photons triggers the emission of the well-known aromatic infrared bands (AIBs) but other mechanisms such as fragmentation can be involved in this…

Astrophysics of Galaxies · Physics 2021-08-12 Alexandre Marciniak , Christine Joblin , Giacomo Mulas , Venkat Rao Mundlapati , Anthony Bonnamy

We combined mapping-mode mid-infrared Spitzer spectra with complementary infrared imaging to perform a spatially resolved study of polycyclic aromatic hydrocarbons (PAHs) emission from the central regions of 66 nearby galaxies, roughly…

Astrophysics of Galaxies · Physics 2022-12-13 Lulu Zhang , Luis C. Ho , Aigen Li

Planet-forming disks of gas and dust around young stars contain polycyclic aromatic hydrocarbons (PAHs). We aim to characterize how the charge state of PAHs can be used as a probe of flows of gas through protoplanetary gaps. In this…

Solar and Stellar Astrophysics · Physics 2015-06-18 K. M. Maaskant , M. Min , L. B. F. M. Waters , A. G. G. M. Tielens

We investigated binding of hydrogen atoms to small Polycyclic Aromatic Hydrocarbons (PAHs) - i.e. graphene dots with hydrogen-terminated edges - using density functional theory and correlated wavefunction techniques. We considered a number…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Matteo Bonfanti , Simone Casolo , Gian Franco Tantardini , Alessandro Ponti , Rocco Martinazzo

Polycyclic aromatic hydrocarbons (PAHs) and fullerenes play a major role in the physics and chemistry of the interstellar medium. Based on a number of recent experimental and theoretical investigations we developed a model in which PAHs are…

Astrophysics of Galaxies · Physics 2022-11-09 M. S. Murga , V . V. Akimkin , D. S. Wiebe