相关论文: Infrared Spectra of Dehydrogenated Carbon Molecule…
Astronomical infrared spectral features at ~6.6, 9.8 and 20 micronm have recently been suggested as being due to the planar graphene form of C24 carbon cluster. Here we report density functional theory and coupled cluster calculations on…
We report a computational study of the stability and infrared (IR) vibrational spectra of neutral and singly ionised fullerene cages containing between 44 and 70 carbon atoms. The stability is characterised in terms of the standard enthalpy…
The current debate about the nature of the carbonaceous material carrying the infrared (IR) emission spectra of planetary and proto-planetary nebulae, including the broad plateaus, calls for further studies on the interplay between…
The spectra of fullerenes C60 and C70, higher fullerenes C76, C78 and C84 and hydrogenated fullerenes (fulleranes) were studied in laboratory in the UV and in the visible spectral range and could be used for searching and recognizing these…
Laboratory spectra of hydrogenated amorphous carbon (HAC) particles prepared under a variety of conditions show spectral features at 7.05, 8.5, 17.4 and 18.9 {\mu}m (1418, 1176, 575 & 529 cm-1) that have been associated with emission from…
We present ten new Spitzer detections of fullerenes in Magellanic Cloud Planetary Nebulae, including the first extragalactic detections of the C70 molecule. These new fullerene detections together with the most recent laboratory data permit…
It is well known since 2010 that fullerene C60 is widespread through the interstellar space. Also, it is well known that graphene is a source material for synthesizing fullerene. Here, we simply assume the occurrence of graphene in space.…
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…
Fullerenes are a particularly stable class of carbon molecules in the shape of a hollow sphere or ellipsoid that might be formed in the outflows of carbon stars. Once injected into the interstellar medium (ISM), these stable species survive…
Detections of C60 and C70 fullerenes in planetary nebulae (PNe) of the Magellanic Clouds and of our own Galaxy have raised the idea that other forms of carbon such as hydrogenated fullerenes (fulleranes like C60H36 and C60H18), buckyonions,…
We recently identified several emission bands in the Spitzer-IRS spectrum of the unusual planetary nebula Tc 1 with the infrared active vibrational modes of the neutral fullerene species C60 and C70. Since then, the fullerene bands have…
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 recent detection of fullerene (C$_{60}$) in space and the positive assignment of five diffuse interstellar bands to C$_{60}^+$ reinforce the notion that fullerene-related compounds can be efficiently formed in circumstellar envelopes…
It had been understood that astronomically observed infrared spectrum of carbon rich planetary nebula as like Tc 1 and Lin 49 comes from fullerene (C60). Also, it is well known that graphene is a raw material for synthesizing fullerene.…
Since the first laboratory synthesis of C$_{60}$ in 1985, fullerene-related species have been proposed to interpret various astronomical features. After more than 25 years' efforts, several circumstellar and interstellar features have been…
Astronomical dust molecule of carbon-rich nebula-Lin49 and nebula-Tc1 could be identified to be polycyclic-pure-carbon C23 by the quantum-chemical calculation. Two driving forces were assumed. One is high speed proton attack on…
Molecular emission is observed in a wide variety of astrophysical environments, yet a substantial fraction of spectral features detected at mm wavelengths remains unidentified. Identifying these features is essential for constraining the…
The main goal of this thesis is to unveil some questions related to the formation of complex fullerene-based molecules in space, with the aim of resolving some key problems in astrophysics. The unexpected detections of fullerenes and…
We present a study of 16 PNe where fullerenes have been detected in their Spitzer spectra. This large sample of objects offers an unique opportunity to test conditions of fullerene formation and survival under different metallicity…
The presence of neutral C60 fullerenes in circumstellar environments has been firmly established by astronomical observations as well as laboratory experiments and quantum-chemistry calculations. However, the large variations observed in…