Related papers: On the relevance of polyynyl-substituted PAHs to a…
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…
The mid-IR spectra of six large, irregular PAHs with formulae (C84H24 - C120H36) have been computed using Density Functional Theory (DFT). Trends in the dominant band positions and intensities are compared to those of large, compact PAHs as…
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…
Broad infrared emission features (e.g., at 3.3, 6.2, 7.7, 8.6, and 11.3 microns) from the gas phase interstellar medium have long been attributed to polycyclic aromatic hydrocarbons (PAHs). A significant portion (10%-20%) of the Milky Way's…
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…
Polycyclic Aromatic Hydrocarbon (PAH) molecules have been long adjudged to contribute to the frequently detected distinct emission features at 3.3, 6.2, 7.7, 8.6, 11.2 and 12.7 {\mu}m with weaker and blended features distributed in the 3-20…
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…
Void induced coronene C23H12++ was suggested to be a possible carrier of the astronomically observed polycyclic aromatic hydrocarbon (PAH), which shows unique molecular structure with carbon two pentagons connected with five hexagons. Well…
The coexistence of PAHs and the C$_{60}$ fullerene in different astrophysical environments can give rise to the formation of new complex species denoted as PAH-C$_{60}$ adducts, which may contribute to the infrared (IR) emission observed.…
The exact nature of the 2175 Angstrom extinction bump, the strongest spectroscopic absorption feature superimposed on the interstellar extinction curve, remains unknown ever since its discovery in 1965. Popular candidate carriers for the…
We present a charge distribution based model that computes the infrared spectrum of polycyclic aromatic hydrocarbon (PAH) molecules using recent measurements or quantum chemical calculations of specific PAHs. The model is applied to a…
Interstellar Polycyclic Aromatic Hydrocarbon (PAH) molecules exist in diverse forms depending on the local physical environment. Formation of ionized PAHs (anions and cations) is favourable in the extreme conditions of the ISM. Besides in…
We investigate the presence of silicon atoms adsorbed on the surface of interstellar polycyclic aromatic hydrocarbons (PAHs) to form SiPAH pi-complexes. We use quantum chemistry calculations to obtain structural, thermodynamic and mid-IR…
The infrared spectra of many galactic and extragalactic objects are dominated by emission features at 3.3, 6.2, 7.7, 8.6 and 11.2 \mu m. The carriers of these features remained a mystery for almost a decade, hence the bands were dubbed the…
Virtually all detailed gas-phase models of the chemistry of dense interstellar clouds exclude polycyclic aromatic hydrocarbons (PAH's). This omission is unfortunate because from the few studies that have been done on the subject, it is…
Dust grains absorb half of the radiation emitted by stars throughout the history of the universe, re-emitting this energy at infrared wavelengths. Polycyclic aromatic hydrocarbons (PAHs) are large organic molecules that trace…
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…
The aromatic infrared Bands (AIBs) dominate the mid-infrared spectra of many galactic and extragalactic sources. These AIBs are generally attributed to fluorescent emission from aromatic molecules. Unified efforts from experimentalists and…
Superhydrogenated polycyclic aromatic hydrocarbons (PAHs) may be present in H-rich and ultraviolet-poor benign regions. The addition of excess H atoms to PAHs converts the aromatic bonds into aliphatic bonds, the strongest of which falls…
The electronic and optical properties of polycyclic aromatic hydrocarbons (PAHs) present a strong dependence on their size and geometry. We tackle this issue by analyzing the spectral features of two prototypical classes of PAHs, belonging…