Related papers: Computing Anharmonic Infrared Spectra of Polycycli…
Polycyclic Aromatic Hydrocarbons (PAHs) are believed to be the small-size tail of the interstellar carbonaceous dust grain population. Their vibrational emission is the most widely accepted source of the aromatic near-infrared features, and…
Total infrared fluxes are estimated for 99 HII regions around massive stars. The following wavebands have been used for the analysis: 8 and 24 $\mu$m, based on data from Spitzer space telescope (IRAC and MIPS, respectively); 70, 160, 250,…
CONTEXT: The attachment of free electrons to polycondensed aromatic ring molecules (PAHs) is studied for the variety of these molecules with different numbers of condensed rings and over a broad range of electron temperatures, using a…
Finite temperature calculations, based on ab initio molecular dynamics (AIMD) simulations, are a powerful tool able to predict material properties that cannot be deduced from ground state calculations. However, the high computational cost…
Two key questions of the chemistry of Polycyclic Aromatic Hydrocarbons (PAHs) in the interstellar medium (ISM) are addressed: i) the way carbon is returned from PAHs to the interstellar gas after the very efficient accretion of C+ ions onto…
We present a sample of resolved galactic HII regions and photodissociation regions (PDRs) observed with the Spitzer infrared spectrograph (IRS) in spectral mapping mode between the wavelengths of 5--15 $\mu$m. For each object we have…
Polycyclic Aromatic Hydrocarbons (PAHs) are organic molecules which comprise the smallest particles of dust in the interstellar medium (ISM). Due to their broad/complex emission profiles, obtaining kinematics is a challenge with traditional…
Context. As revealed by high-resolution spectral investigations in the wavelength range between 300 and 400 nm, the interstellar extinction curve does not display any of the sharp electronic absorption bands that are characteristic for…
Using physical models, we study the sensitivity of polycyclic aromatic hydrocarbon (PAH) emission spectra to the character of the illuminating starlight, to the PAH size distribution, and to the PAH charge distribution. Starlight models…
We introduce sbml4md, a newly developed algorithm implemented as a software package to extract parameters of multimode anharmonic Brownian (MAB) models from molecular dynamics (MD) trajectories for simulating nonlinear vibrational spectra…
Although H$_{2}$ is the simplest and the most abundant molecule in the Universe, its formation in the interstellar medium, especially in the photodissociation regions is far from being fully understood. According to suggestions, the…
Two-dimensional spectroscopic techniques combining terahertz (THz), infrared (IR), and visible pulses offer a wealth of information about coupling among vibrational modes in molecular liquids, thus providing a promising probe of their local…
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,…
In a series of two recent papers, the frequency and size distribution dependence of extinction spectra for astronomical silicate and graphite grains was analyzed by us in the context of MRN type interstellar dust models. These grains were…
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 performed mid-infrared spectroscopic observations of 18 local dusty elliptical galaxies by using the Infrared Spectrograph (IRS) on board Spitzer. We have significantly detected polycyclic aromatic hydrocarbon (PAH) features from 14 out…
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…
[Abridged] The ionization of polycyclic aromatic hydrocarbons (PAHs), by ultraviolet (UV) photons from massive stars is expected to account for a large fraction of the heating of neutral gas in galaxies. Evaluation of this proposal,…
The electronic and optical properties of various polycyclic aromatic hydrocarbons (PAHs) with lower symmetry, namely, benzo[ghi]perylene (C$_{22}$H$_{12}$), benzo[a]coronene (C$_{28}$H$_{14}$), naphtho[2,3a]coronene (C$_{32}$H$_{16}$),…
We present insights into the behavior of the astronomical 7.7 ${\mu}$m polycyclic aromatic hydrocarbon (PAH) emission complex as gleaned from analyzing synthesized spectra, utilizing the data and tools from the NASA Ames PAH IR…