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We present a detailed analysis of the mid-infrared spectrum of the peculiar evolved object HR 4049. The full Spitzer-IRS high-resolution spectrum shows a wealth of emission with prominent features from CO2 and H2O and possible contributions from HCN and OH. We model the molecular emission and find that it originates from a massive (M ≳ 8 × 10–3M☼), warm (Tex ≈ 500 K) and radially extended gas disk that is optically thick at infrared wavelengths. We also report less enrichment in 17O and 18O than previously found and a comparison of the Spitzer observations to earlier data obtained by the Short Wavelength Spectrometer on board the Infrared Space Observatory reveals that the CO2 flux has more than doubled in 10 yr time, indicating active and ongoing chemical evolution in the circumbinary disk. If the gas originates from interaction between the stellar wind and the dust, this suggests that the dust could be oxygen-rich in nature. The molecular gas plays a crucial role in the thermal properties of the circumbinary disk by allowing visible light to heat the dust and then trapping the infrared photons emitted by the dust. This results in higher temperatures and a more homogeneous temperature structure in the disk. [ABSTRACT FROM AUTHOR]

Carbon-rich evolved stars from the asymptotic giant branch to the planetary nebula phase are characterized by a rich and complex carbon chemistry in their circumstellar envelopes. A peculiar object is the preplanetary nebula SMP LMC 11, whose Spitzer Infrared Spectrograph spectrum shows remarkable and diverse molecular absorption bands. To study how the molecular composition in this object compares to our current understanding of circumstellar carbon chemistry, we modeled this molecular absorption. We find high abundances for a number of molecules, perhaps most notably benzene. We also confirm the presence of propyne (CH3C2H) in this spectrum. Of all the cyanopolyynes, only HC3N is evident; we can detect at best a marginal presence of HCN. From comparisons to various chemical models, we can conclude that SMP LMC 11 must have an unusual circumstellar environment (a torus rather than an outflow). [ABSTRACT FROM AUTHOR]

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 of fully optimized geometries for PAHs that is complete for eight or fewer fused benzene rings, thus containing 1550 PAHs and 805 fully dehydrogenated aromatics. A large fraction of the species in our database have clearly non-planar or curved geometries. For each species, we determined the frequencies and intensities of their normal modes using density functional theory calculations. Whereas most PAH spectra are fairly similar, the spectra of fully dehydrogenated aromatics are much more diverse. Nevertheless, these fully dehydrogenated species show characteristic emission features at 5.2 μm, 5.5 μm, and 10.6 μm; at longer wavelengths, there is a forest of emission features in the 16-30 μm range that appears as a structured continuum, but with a clear peak centered around 19 μm. We searched for these features in Spitzer-IRS spectra of various positions in the reflection nebula NGC 7023. We find a weak emission feature at 10.68 μm in all positions except that closest to the central star. We also find evidence for a weak 19 μm feature at all positions that is not likely due to C60. We interpret these features as tentative evidence for the presence of a small population of fully dehydrogenated PAHs, and discuss our results in the framework of PAH photolysis and the formation of fullerenes. [ABSTRACT FROM AUTHOR]

HR 4049 is a peculiar evolved binary surrounded by a circumbinary disk. Mid-infrared observations show that the disk is rich in molecular gas and radially extended. To study the properties of this disk, we re-analyzed a set of near-infrared observations at high spectral resolution obtained with Gemini-Phoenix. These data cover absorption lines originating from the first overtone of CO and from H2O in the 2.3 μm region as well as more complex emission-absorption profiles from H2O and the fundamental mode of CO near 4.6 μm. By using an excitation diagram and from modeling the spectrum, we find that most of the CO overtone and H2O absorption originates from hot gas (Tex ≈ 1000 K) with high column densities, consistent with the mid-infrared data. The strong emission in the wavelength range of the CO fundamental furthermore suggests that there is a significant quantity of gas in the inner cavity of the disk. In addition, there is a much colder component in the line of sight to the disk. A detailed analysis of the overtone line profiles reveals variations in the line widths that are consistent with a radially extended disk in Keplerian rotation with hotter gas closer to the central star. We estimate the mass of the primary to be ∼0.34 M☼ and discuss the implications for its evolutionary status. [ABSTRACT FROM AUTHOR]

Infrared spectra of carbon-rich objects that have evolved off the asymptotic giant branch reveal a range of dust properties, including fullerenes, polycyclic aromatic hydrocarbons (PAHs), aliphatic hydrocarbons, and several unidentified features, including the 21 μm emission feature. To test for the presence of fullerenes, we used the position and width of the feature at 18.7-18.9 μm and examined other features at 17.4 and 6-9 μm. This method adds three new fullerene sources to the known sample, but it also calls into question three previous identifications. We confirm that the strong 11 μm features seen in some sources arise primarily from SiC, which may exist as a coating around carbonaceous cores and result from photo-processing. Spectra showing the 21 μm feature usually show the newly defined Class D PAH profile at 7-9 μm. These spectra exhibit unusual PAH profiles at 11-14 μm, with weak contributions at 12.7 μm, which we define as Class D1, or show features shifted to ∼11.4, 12.4, and 13.2 μm, which we define as Class D2. Alkyne hydrocarbons match the 15.8 μm feature associated with 21 μm emission. Sources showing fullerene emission but no PAHs have blue colors in the optical, suggesting a clear line of sight to the central source. Spectra with 21 μm features and Class D2 PAH emission also show photometric evidence for a relatively clear line of sight to the central source. The multiple associations of the 21 μm feature with aliphatic hydrocarbons suggest that the carrier is related to this material in some way. [ABSTRACT FROM AUTHOR]

We compare and analyze the Spitzer mid-infrared spectrum of three fullerene-rich planetary nebulae in the Milky Way and the Magellanic Clouds: Tc1, SMP SMC 16, and SMP LMC 56. The three planetary nebulae share many spectroscopic similarities. The strongest circumstellar emission bands correspond to the infrared active vibrational modes of the fullerene species C60 and little or no emission is present from polycyclic aromatic hydrocarbons. The strengths of the fullerene bands in the three planetary nebulae are very similar, while the ratios of the [Ne III]15.5 μm/[Ne II]12.8 μm fine structure lines, an indicator of the strength of the radiation field, are markedly different. This raises questions about their excitation mechanism and we compare the fullerene emission to fluorescent and thermal models. In addition, the spectra show other interesting and common features, most notably in the 6-9 μm region, where a broad plateau with substructure dominates the emission. These features have previously been associated with mixtures of aromatic/aliphatic hydrocarbon solids. We hypothesize on the origin of this band, which is likely related to the fullerene formation mechanism, and compare it with modeled hydrogenated amorphous carbon that present emission in this region. [ABSTRACT FROM AUTHOR]