相关论文: The sequence to hydrogenate coronene cations: A jo…
Recent calculations have shown that the UV bump at about 217.5 nm in the extinction curve can be explained by a complex mixture of PAHs in several charge states. Other studies proposed that the carriers are a restricted population made of…
Catacondensed benzenoids (those benzenoids having no carbon atom belonging to three hexagonal rings) form the simplest class of polycyclic aromatic hydrocarbons (PAH). They have a long history of study and are of wide chemical importance.…
Emission from a class of benzene-based molecules known as Polycyclic Aromatic Hydrocarbons (PAHs) dominates the infrared spectrum of star-forming regions. The observed emission appears to arise from the combined emission of numerous PAH…
The search for large polycyclic aromatic hydrocarbons (PAHs) with over 100 carbon atoms is crucial to resolving the origin of unidentified infrared emission (UIE) bands. These bands are commonly observed in nebulae and the interstellar…
As a part of interstellar dust, polycyclic aromatic hydrocarbons (PAHs) are processed by the interaction with vacuum ultraviolet (VUV) photons that are emitted by hot young stars. This interaction leads to the emission of the well-known…
While powerful techniques exist to accurately account for anharmonicity in vibrational molecular spectroscopy, they are computationally very expensive and cannot be routinely employed for large species and/or at non- zero vibrational…
Benzene, a hexagonal molecule with formula C$_6$H$_6$, is one of the most important aromatic hydrocarbons. Its structure arises from the $sp^{2}$ hybridization from which three in-plane $\sigma$-bonds are formed. A fourth $\pi$-orbital…
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…
Aims. The chemistry of, and infrared (IR) emission from, polycyclic aromatic hydrocarbons (PAHs) in disks around Herbig Ae/Be and T Tauri stars are investigated. The equilibrium distribution of the PAHs over all accessible…
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…
Ionization of gas-phase organic molecules such as polycyclic aromatic hydrocarbons (PAHs) requires vacuum ultraviolet photons at wavelengths shorter than 200 nm (~6-9 eV). We present here for the first time that visible photons - accessible…
Interstellar infrared observation shows featured spectrum due to polycyclic aromatic hydrocarbon (PAH)at wavelength 3.3,6.2,7.6,7.8,8.6,and 11.3 micrometer,which are ubiquitously observed in many astronomical dust clouds and galaxies. Our…
The cosmic-ray ionization rate ($\zeta$, s$^{-1}$) plays an important role in the interstellar medium. It controls ion-molecular chemistry and provides a source of heating. Here we perform a grid of calculations using the spectral synthesis…
Carbon ($^3$P) atom is a reactive species that, according to laboratory experiments and theoretical calculations, condensates with interstellar ice components. This fact is of uttermost importance for the chemistry in the interstellar…
The equilibrium carbon-carbon bond lengths in $\pi$-electron hydrocarbons are very sensitive to the electronic ground-state characteristic. In the recent two papers by Stolarczyk and Krygowski (to appear soon) a simple quantum approach, the…
Polycyclic aromatic hydrocarbon (PAH) molecules, ubiquitously seen in the interstellar medium (ISM) of our own and external galaxies, might have been incorporated into comets if they are formed from relatively unprocessed interstellar…
Chemical tagging promises to use detailed abundance measurements to identify spatially separated stars that were in fact born together (in the same molecular cloud), long ago. This idea has not yielded much practical success, presumably…
Carbon dioxide (CO$_2$) is one of the most important interstellar molecules. While it is considered that it forms on the surface of interstellar dust grains, the exact contribution of different chemical mechanisms is still poorly…
We investigate the evolution of polycyclic aromatic hydrocarbon (PAH) abundance in a galaxy, which is a crucial step to understand the evolution of bright emission features in the mid-infrared range. We calculate the evolution of dust grain…
In order to find out capable chemical evolution step from astronomically created organic in interstellar space to biological organic on the earth, infrared spectrum of nitrogen substituted carbon pentagon-hexagon coupled polycyclic aromatic…