相关论文: Interstellar dehydrogenated PAH anions: vibrationa…
Small organic molecules are thought to provide building blocks for the formation of complex interstellar polycyclic aromatic hydrocarbons (PAHs). However, the underlying chemical mechanisms remain unclear, particularly concerning the role…
We present a model for the hydrogenation states of Polycyclic Aromatic Hydrocarbons (PAHs) in the diffuse interstellar medium. First, we study the abundance of hydrogenation and charge states of PAHs due to photo-ionization,…
Polycyclic Aromatic Hydrocarbon (PAH) molecules have been long proposed to be a major carrier of 'Unidentified Infrared' (UIR) emission bands that have been observed ubiquitously in various astrophysical environments. These molecules can…
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…
We present the results of a computational study to investigate the infrared spectroscopic properties of a large number of polycyclic aromatic hydrocarbon (PAH) molecules and their fully dehydrogenated counterparts. We constructed a database…
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…
Polycyclic aromatic hydrocarbons (PAHs) appear to be ubiquitous in terrestrial atmosphere as well as in the interstellar medium (ISM). In the astrophysical context presence of PAHs is interpreted by the observations of mid-IR emission bands…
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…
Polycyclic Aromatic Hydrocarbons (PAHs) are considered as a major constituent of interstellar dust. They have been proposed as the carriers of the Aromatic Infrared Bands (AIBs) observed in emission in the mid-IR. They likely have a…
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…
Polycyclic aromatic hydrocarbon (PAH) ions are crucial intermediates in interstellar chemistry and may play a key role in the infrared emission features observed in space. Here, we investigate the infrared spectra of the indenyl…
This work presents theoretical calculations of infrared spectra of nitrogen (N)-containing polycyclic aromatic hydrocarbon (PAH) molecules with incorporation of N, NH and NH$_2$ using density functional theory (DFT). The properties of their…
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…
The observed variations in profiles of the interstellar aromatic infrared bands correlate with the object type and are indicative of PAH populations existing i n different sources. Spectroscopic studies on PAHs can provide tools for the int…
The high interstellar abundances of polycyclic aromatic hydrocarbons (PAHs) and their size distribution are the result of complex chemical processes implying dust, UV radiation, and the main gaseous components (H, C+, and O). These…
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.…
We report the results of a search for emission features from interstellar deuterated polycyclic aromatic hydrocarbons (PAHs) in the 4um region with the Infrared Camera (IRC) onboard AKARI. No significant excess emission is seen in 4.3-4.7um…
Polycyclic aromatic hydrocarbon (PAH) molecules, as revealed by the distinctive set of emission bands at 3.3, 6.2, 7.7, 8.6, 11.3 and 12.7 $\mu$m characteristic of their vibrational modes, are abundant and widespread throughout the…
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…
Polycyclic aromatic hydrocarbon (PAH) molecules have long been suggested to be present in the interstellar medium (ISM). Nevertheless, despite their expected ubiquity and sustained searching efforts, identifying specific interstellar PAH…