相关论文: Multiply charged naphthalene and its C10H8 isomers…
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…
In order to find out capable molecular source of astronomically well observed infrared (IR) spectrum, asymmetric molecular configuration polycyclic aromatic hydrocarbon (PAH) was analyzed by the density functional theory (DFT) analysis.…
We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micron CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the…
We present an on-line database of computed molecular properties for a large sample of polycyclic aromatic hydrocarbons (PAHs) in four charge states: -1, 0, +1, and +2. At present our database includes 40 molecules ranging in size from…
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…
Modeling a promising carrier of the astronomically observed polycyclic aromatic hydrocarbon (PAH), infrared (IR) spectra of ionized molecules (C9H7) n+ were calculated based on density functional theory (DFT). In a previous study, it was…
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…
Aims. In this work we determine the effects of anharmonicity on the mid-infrared spectra of the linear polycyclic aromatic hydrocarbons (PAHs) naphthalene, anthracene, tetracene and pentacene recorded using the free electron laser FELIX.…
We present a study for a sample of galaxies with active nuclei to characterize the main type of PAH molecules present in these objects and the local physical conditions of their irradiating sources, as well as the characteristics of the…
The formation of polycyclic aromatic hydrocarbons (PAHs) and their methyl derivatives occurs mainly in the dust shells of asymptotic giant branch (AGB) stars. The bands at 3.3 and 3.4 $\mu$m, observed in infrared emission spectra of several…
Polycyclic aromatic compounds (PACs) constitute an important class of molecules found in various environments and are considered important pollutants of the Earth's atmosphere. In particular, functionalization of PACs modify the ring…
We present a new method to accurately describe the ionization fraction and the size distribution of polycyclic aromatic hydrocarbons (PAHs) within astrophysical sources. To this purpose, we have computed the mid-infrared emission 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…
Context. In the framework of the interstellar polycyclic aromatic hydrocarbons (PAHs) hypothesis, far-IR skeletal bands are expected to be a fingerprint of single species in this class. Aims. We address the question of detectability of low…
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…
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…
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…
We present the analysis of the Polycyclic Aromatic Hydrocarbon (PAH) spectra of a sample of 92 typical star forming galaxies at 0.03 < z < 0.2 observed with the Spitzer IRS. We compare the relative strengths of PAH emission features with…
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…
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…