相关论文: Anisotropy and Size Effects on the Optical Spectra…
We study the modifications on the ground and excited state properties of polycyclic aromatic hydrocarbons (PAHs), induced by the variation of concavity and $\pi$-connectivity. Inspired by experimentally feasible systems, we study three…
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…
This joint theoretical and experimental study establishes that the adsorption of polycyclic aromatic hydrocarbons (PAHs) onto the amorphous ice surface provokes a broadening and redshift of the "dangling" OH (dOH) ice spectral feature, the…
We have obtained new STIS/HST spectra to search for structure in the ultraviolet interstellar extinction curve, with particular emphasis on a search for absorption features produced by polycyclic aromatic hydrocarbons (PAHs). The presence…
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.…
Aims. We aim to elucidate the spectral changes in the 3 micron region that result from chemical changes in the molecular periphery of polycyclic aromatic hydrocarbons (PAHs) with extra hydrogens (H-PAHs) and methyl groups (Me-PAHs).…
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 study the polarized infrared emission by Polycyclic Aromatic Hydrocarbons (PAHs), when anisotropically illuminated by UV photons. PAH molecules are modeled as planar disks with in-plane and out-of-plane vibrational dipoles. As first…
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…
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…
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…
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…
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 decompose the observed 7.7 $\mu$m polycyclic aromatic hydrocarbon (PAH) emission complexes in a large sample of over 7000 mid-infrared spectra of the interstellar medium (ISM) using spectral cubes observed with the Spitzer/IRS-SL…
Mixtures of polycylic aromatic hydrocarbons (PAHs) have been produced by means of laser pyrolysis. The main fraction of the extracted PAHs were primarily medium-sized, up to a maximum size of 38 carbon atoms per molecule. The use of…
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…
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…
The interaction of polycyclic aromatic hydrocarbons (PAHs) with vacuum ultraviolet (VUV) photons triggers the emission of the well-known aromatic infrared bands (AIBs) but other mechanisms such as fragmentation can be involved in this…
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…
Intensity ratios of aromatic emission features are widely used to diagnose the size and ionization state of polycyclic aromatic hydrocarbons (PAHs) in astronomical environments. However, PAHs are known to typically carry aliphatic side…