Related papers: Computing Anharmonic Infrared Spectra of Polycycli…
Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in astrophysical environments, as revealed by their pronounced emission features at 3.3, 6.2, 7.7, 8.6, 11.3, and 12.7 $\mu$m commonly ascribed to the C--H and C--C vibrational modes.…
In the present contribution, I summarize a systematic study of ISO and Spitzer mid-IR spectra of Galactic regions and star forming galaxies. This study quantifies the relative variations of the main aromatic features inside spatially…
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…
The mid-infrared spectra of large PAHs ranging from C54H18 to C130H28 are determined computationally using Density Functional Theory. Trends in the band positions and intensities as a function of PAH size, charge and geometry are discussed.…
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…
The so-called aromatic infrared bands are attributed to emission of polycyclic aromatic hydrocarbons. The observed variations toward different regions in space are believed to be caused by contributions of different classes of PAH…
Interstellar polycyclic aromatic hydrocarbon (PAHs) are an important component of the interstellar medium of galaxies, containing some 10 percent of the elemental carbon. Their vibrational emission dominates the mid-infrared spectra of…
We study the effect of anisotropic radiation illumination on the alignment of polycyclic aromatic hydrocarbons (PAHs) and report that cross-sectional mechanism of alignment earlier considered in terms of gas-grain interactions can also be…
The 11.2 $\mu$m emission band belongs to the family of the `Unidentified' Infrared (UIR) emission bands seen in many astronomical environments. In this work we present a theoretical interpretation of the band characteristics and profile…
Ultrafast, time-resolved spectroscopies enable the direct observation of non-equilibrium processes in condensed-phase systems and have revealed key insights into energy transport, hydrogen-bond dynamics, and vibrational coupling. While ab…
The infrared (IR) emission from interstellar dust in the Small Magellanic Cloud (SMC) is modelled using a mixture of amorphous silicate and carbonaceous grains, including a population of polycyclic aromatic hydrocarbon (PAH) molecules. (1)…
The JWST will deliver large data sets of high-quality spectral data over the 0.6-28 $\mu$m range. It will combine sensitivity, spectral and spatial resolution. Specific tools are required to provide efficient scientific analysis of such…
Interpreting spectroscopy data is a critical bottleneck in automating chemical research and industrial characterization. Particularly within infrared (IR) spectroscopy, identifying compounds in complex, liquid-phase chemical mixtures…
Infrared vibrational spectroscopy in the gas phase has emerged as a powerful tool to determine complex molecular structures with Angstrom accuracy. Among the different approaches IRMPD (InfraRed Multiple Photon Dissociation), which requires…
In this paper, we explore the detectability of polycyclic aromatic hydrocarbons (PAHs) under diverse planetary conditions, aiming to identify promising targets for future observations of planetary atmospheres. Our primary goal is to…
Polycyclic Aromatic Hydrocarbons (PAHs) are carbon-based molecules resulting from the union of aromatic rings and related species, which are likely responsible for strong infrared emission features (3.3, 6.2, 7.7, 8.6, 11.3 and 12.7…
This study presents optical and near-infrared photometric observations, alongside mid-infrared spectroscopic data from the ISO SWS instrument, to examine potential correlations between Aromatic Infrared Band (AIB) features and the optical…
Aromatic infrared bands (AIBs) are a set of broad emission bands at 3.3, 6.2, 7.7, 8.6, 11.2, and 12.7 $\mu$m, seen in the infrared spectra of most galaxies. With JWST, the 3.3 $\mu$m AIB can in principle be detected up to a redshift of…
Emission from polycyclic aromatic hydrocarbons (PAHs), a commonly used indicator of star formation activity in galaxies, also has the potential to serve as an effective empirical tracer of molecular gas. We use a sample of 19 nearby…
Polycyclic aromatic hydrocarbons (PAHs) are fundamental to understanding the interstellar medium (ISM) of several astrophysical objects. Normally present in Starburst (SB) galaxies, they have also been more frequently detected in active…