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NASA NTRS1999

Exotic Molecules in Space: A Coordinated Astronomical Laboratory and Theoretical Study

The past three years have been a period of great progress in our laboratory investigation of molecules of astrophysical interest-the most productive by far in the 20-year history of a research program which has led to the discovery of over 20% of the 123 known interstellar and circumstellar molecules. Most of the discoveries made during this period have been the result of the construction in late 1995 and early 1996 of a Fourier transform microwave spectrometer working in the centimeter-wave band. The sensitivity of this instrument from the moment that it was turned on has exceeded our expectations by an order of magnitude. The Table below shows the 46 new molecules which have been discovered. Most are carbon chains, the dominant type of molecule which has been found in space. Several comments with respect to these molecules should be made: 1. There are probably no mistakes in any of the identifications, since these have been confirmed by the standard, powerful assays and tests used to check spectroscopic identifications: isotopic substitution, quantum calculations of the expected molecular structures, detection of hyperfine structure, Zeeman effect, etc. 2. The radio laboratory astrophysics of the entire set is complete for the time being, in the sense that essentially all the astronomically interesting radio transitions (including hfs when present) are either directly measured or can now be calculated from the derived spectroscopic constants to better than 1 part per million (or 0.3 km s-1 in radial velocity, and often much better than that). 3. Six of the forty six new molecules have already been identified in space, in every case but one on the basis of our laboratory measurements. 4. Sensitive as they are, our laboratory techniques are far from fundamental limits on sensitivity, and 5. One of the principal motivations of our research is to close the fairly small mass and size gap, now only a factor of a few, between the smallest postulated interstellar grains and the largest identified interstellar molecules.

Thaddeus, Patrick↗

NASA NTRS1982

Experiments and calculations on the extinction of starlight by iron or magnetite grains

Both iron and magnetite have previously been proposed as constituents of interstellar grains. If either type of magnetic grain exists, it would help to explain the polarization of starlight which is thought to be caused by grains aligned by the interstellar magnetic field. A description is presented of laboratory measurements and computer calculations of the optical properties of small (approximately 25 nm radius) Fe and Fe304 grains. These results are discussed in terms of the effect of such particles on the extinction observed in the interstellar medium or in circumstellar shells. It is found that Fe is probably not responsible for the 220 nm feature in the interstellar extinction curve. Calculations show that if Fe304 is responsible for the very broad structure (VBS) in the interstellar extinction curve, then it would also be a significant contributor to the extinction in the near-UV.

Hecht, J.↗

DOE OSTI2015

THE MYSTERY OF THE COSMIC DIFFUSE ULTRAVIOLET BACKGROUND RADIATION

The diffuse cosmic background radiation in the Galaxy Evolution Explorer far-ultraviolet (FUV, 1300-1700 Å) is deduced to originate only partially in the dust-scattered radiation of FUV-emitting stars: the source of a substantial fraction of the FUV background radiation remains a mystery. The radiation is remarkably uniform at both far northern and far southern Galactic latitudes and increases toward lower Galactic latitudes at all Galactic longitudes. We examine speculation that this might be due to interaction of the dark matter with the nuclei of the interstellar medium, but we are unable to point to a plausible mechanism for an effective interaction. We also explore the possibility that we are seeing radiation from bright FUV-emitting stars scattering from a ''second population'' of interstellar grains—grains that are small compared with FUV wavelengths. Such grains are known to exist, and they scatter with very high albedo, with an isotropic scattering pattern. However, comparison with the observed distribution (deduced from their 100 μm emission) of grains at high Galactic latitudes shows no correlation between the grains' location and the observed FUV emission. Our modeling of the FUV scattering by small grains also shows that there must be remarkably few such ''smaller'' grains at high Galactic latitudes, both north and south; this likely means simply that there is very little interstellar dust of any kind at the Galactic poles, in agreement with Perry and Johnston. We also review our limited knowledge of the cosmic diffuse background at ultraviolet wavelengths shortward of Lyα—it could be that our ''second component'' of the diffuse FUV background persists shortward of the Lyman limit and is the cause of the reionization of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1986

Grain temperature fluctuations - A key to infrared spectra

Interstellar grains of radius less than 003 microns are known to have a fluctuating temperature because their internal energy is comparable to the energy of UV and visible photons. The exact resultant grain temperature distribution is given by studying the multiphoton absorption processes. This distribution satisfies an homogeneous integral equation which can be solved by an iteration technique. These small grains generally emit at shorter wavelengths than big cold grians and therefore could help in the interpretation of the infrared spectra (1-1000 microns) of various astrophysical objects.

Desert, F. X.↗

DOE OSTI2023

Unconventional gas-phase preparation of the prototype polycyclic aromatic hydrocarbon naphthalene (C 10 H 8 ) via the reaction of benzyl (C 7 H 7 ) and propargyl (C 3 H 3 ) radicals coupled with hydrogen-atom assisted isomerization

Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in the interstellar medium and in meteorites such as Murchison and Allende and signify the missing link between resonantly stabilized free radicals and carbonaceous nanoparticles (soot particles, interstellar grains). However, the predicted lifetime of interstellar PAHs of some 108 years imply that PAHs should not exist in extraterrestrial environments suggesting that key mechanisms of their formation are elusive. Exploiting a microchemical reactor and coupling these data with computational fluid dynamics (CFD) simulations and kinetic modeling, we reveal through an isomer selective product detection that the reaction of the resonantly stabilized benzyl (C 7 H 7 ) and the propargyl (C 3 H 3 ) synthesizes the simplest representative of PAHs – the 10π Hückel aromatic naphthalene (C 10 H 8 ) molecule – via the novel Propargyl Addition–BenzAnnulation (PABA) mechanism. The gas-phase preparation of naphthalene affords a versatile concept of the reaction of combustion and astronomically abundant propargyl radicals with aromatic radicals carrying the radical center at the methylene moiety (aromatic-CH 2 ) as a previously passed over source of aromatics in high temperature environments thus bringing us closer to an understanding of the aromatic universe we live in.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

Ly-alpha emission from cooling flows and measures of the dust content of rich clusters of galaxies

Ly-alpha and UV continuum fluxes from measurements across the emission-line regions of 10 'cooling flow' clusters of galaxies are tabulated. Comparison of Ly-alpha emission fluxes obtained with the IUE satellite with optical Balmer emission fluxes is used to demonstrate that the lines of sight to the centers of these clusters show an average excess reddening E(B-V) about 0.19 above foreground extinction. While some fraction of this may derive from localized extinction in the central (cooling flow) region of the cluster, a substantial portion of this effect should arise from an extended cluster component. The case where this extinction originates in the hot intracluster gas of the cluster halo is considered. Estimates for the corresponding 100-micron infrared emission, assuming grain properties similar to those of interstellar grains, place the expected emission at the about 1/2 Jy level for nearby clusters. Measurements from IRAS pointed mode observations of clusters are consistent with the expected values. These results are used to show that ISO and SIRTF may detect clusters to cosmological distances.

Hu, Esther M.↗

NASA NTRS2012

Mineralogy of Stardust Track 112 Particle: Relation to Amoeboid Olivine Aggregates

The successful analysis of comet 81P/Wild 2 particles returned by the Stardust mission has revealed that the Wild 2 dust contains abundant silicate grains that are much larger than interstellar grains and appear to have formed in the inner regions of the solar nebula [1]. Wild 2 particles include minerals which are isotopically and mineralogically similar to CAIs [e.g., 2, 3] and chondrules [e.g., 4] in chondrites. In addition, particles similar to amoeboid olivine aggregates (AOAs) also have been discovered [5, 6,7]. C2067,2,112,1 is a terminal particle recovered from track #112 (T112). Nakamura-Messenger et al. [7] showed that the forsterite grain in T112 has O-16 enrichment of approximately 40 0/00 (vs. SMOW) and possibly formed together with AOAs. In this study, we have examined the mineralogy of the T112 particle and compared the possible relationships between T112 and AOAs in primitive meteorites.

Komatsu, M.↗

DOE OSTI2013

A UNIFIED MONTE CARLO TREATMENT OF GAS-GRAIN CHEMISTRY FOR LARGE REACTION NETWORKS. II. A MULTIPHASE GAS-SURFACE-LAYERED BULK MODEL

The observed gas-phase molecular inventory of hot cores is believed to be significantly impacted by the products of chemistry in interstellar ices. In this study, we report the construction of a full macroscopic Monte Carlo model of both the gas-phase chemistry and the chemistry occurring in the icy mantles of interstellar grains. Our model treats icy grain mantles in a layer-by-layer manner, which incorporates laboratory data on ice desorption correctly. The ice treatment includes a distinction between a reactive ice surface and an inert bulk. The treatment also distinguishes between zeroth- and first-order desorption, and includes the entrapment of volatile species in more refractory ice mantles. We apply the model to the investigation of the chemistry in hot cores, in which a thick ice mantle built up during the previous cold phase of protostellar evolution undergoes surface reactions and is eventually evaporated. For the first time, the impact of a detailed multilayer approach to grain mantle formation on the warm-up chemistry is explored. The use of a multilayer ice structure has a mixed impact on the abundances of organic species formed during the warm-up phase. For example, the abundance of gaseous HCOOCH{sub 3} is lower in the multilayer model than in previous grain models that do not distinguish between layers (so-called two phase models). Other gaseous organic species formed in the warm-up phase are affected slightly. Finally, we find that the entrapment of volatile species in water ice can explain the two-jump behavior of H{sub 2}CO previously found in observations of protostars.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1992

The atmospheric structures of the companion stars of eclipsing binary x ray sources

This investigation was aimed at determining structural features of the atmospheres of the massive early-type companion stars of eclipse x-ray pulsars by measurement of the attenuation of the x-ray spectrum during eclipse transitions and in deep eclipse. Several extended visits were made to ISAS in Japan by G. Clark and his graduate student, Jonathan Woo to coordinate the Ginga observations and preliminary data reduction, and to work with the Japanese host scientist, Fumiaki Nagase, in the interpretation of the data. At MIT extensive developments were made in software systems for data interpretation. In particular, a Monte Carlo code was developed for a 3-D simulation of the propagation of x-rays from the neutron star through the ionized atmosphere of the companion. With this code it was possible to determine the spectrum of Compton-scattered x-rays in deep eclipse and to subtract that component from the observed spectra, thereby isolating the software component that is attributable in large measure to x-rays that have been scattered by interstellar grains. This research has culminated in the submission of paper to the Astrophysical Journal on the determination of properties of the atmosphere of QV Nor, the BOI companion of 4U 1538-52, and the properties of interstellar dust grains along the line of sight from the source. The latter results were an unanticipated byproduct of the investigation. Data from Ginga observations of the Magellanic binaries SMC X-1 and LMC X-4 are currently under investigation as the PhD thesis project of Jonathan Woo who anticipated completion in the spring of 1993.

Clark, George W.↗

NASA NTRS1986

Grain alignment by ferromagnetic impurities

The observed wavelength dependence of linear polarization, and its variation from region to region can be explained by the following assumptions. Interstellar grains resemble interplanetary grains, in that they are composed of collections of small particles coagulated together into elongated masses. A fraction of the small particles are ferromagnetic. Presumably these are either metallic Fe or magnetite, Fe3O4. If and only if a large grain contains one or more magnetic particles is the grain aligned in the galactic magnetic field. The magnetic particles stick only to silicate grains because of chemical similarities, or (equivalently) any pure carbon grains in the diffuse interstellar medium (ISM) are too spherical to produce polarization. Grains in dense regions, such as the outer parts of molecular clouds, are larger than those in the diffuse ISM because of coagulation of the grains rather than accretion of icy mantles. These regions are known to have larger than normal values of lambda (max), the wavelength of the maximum of linear polarization. The above assumptions are sufficient to allow the calculation of the wavelength dependence of the polarization.

Mathis, J. S.↗

DOE OSTI2013

AN ECHO OF SUPERNOVA 2008bk

I have discovered a prominent light echo around the low-luminosity Type II-plateau supernova (SN) 2008bk in NGC 7793, seen in archival images obtained with the Wide Field Channel of the Advanced Camera for Surveys on board the Hubble Space Telescope (HST). The echo is a partial ring, brighter to the north and east than to the south and west. The analysis of the echo I present suggests that it is due to the SN light pulse scattered by a sheet, or sheets, of dust located Almost-Equal-To 15 pc from the SN. The composition of the dust is assumed to be of standard Galactic diffuse interstellar grains. The visual extinction of the dust responsible for the echo is A{sub V} Almost-Equal-To 0.05 mag in addition to the extinction due to the Galactic foreground toward the host galaxy. That the SN experienced much less overall extinction implies that it is seen through a less dense portion of the interstellar medium in its environment. The late-time HST photometry of SN 2008bk also clearly demonstrates that the progenitor star has vanished.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1989

Correlation properties of interstellar dust: Diffuse interstellar bands

Results are presented from a research program in which an attempt was made to establish the physical nature of the interstellar grains, and the carriers of the diffuse interstellar bands, by comparing relations between different observed properties; the properties used include the extinction in the optical and ultraviolet (including wavelength 2200 and the far-UV rise), cloud density, atomic depletions, and strengths of the diffuse bands. Observations and also data from literature were used, selecting particularly sight-lines where some observed property was found to have anomalous behavior.

Somerville, W. B.↗

NASA NTRS1991

Variable interstellar absorption toward HD 72127A. II - 1981-1988

The present study examines eight new echelle spectra of HD 72127A found between 1981 and 1988 near the Ca II K line, along with four similar spectra near the Na I D lines. In addition to the unrivaled intensity and width of this interstellar K line formed at a distance of not more than 500 pc, which were previously discovered by Thackeray (1974), the spectra show clearly the unique temporal variability of the interstellar absorption along this light path, which was reported in an earlier study by Hobbs et al. (1982). The new results strengthen further the hypothesis that the interstellar absorption toward this star occurs predominantly in the disturbed gas located within the SNR, in which the interstellar grains have been largely destroyed. The variable interstellar lines were found to consist of at least 120 components at the K line and of at least eight generally corresponding components at the D lines. The total column densities summed over all of these interstellar clouds varied irregularly by about 45 percent in five and about 38 percent in ten years, respectively.

Hobbs, L. M.↗

DOE OSTI2014

On the radiolysis of ethylene ices by energetic electrons and implications to the extraterrestrial hydrocarbon chemistry

The chemical processing of ethylene ices (C{sub 2}H{sub 4}) by energetic electrons was investigated at 11 K to simulate the energy transfer processes and synthesis of new molecules induced by secondary electrons generated in the track of galactic cosmic ray particles. A combination of Fourier transform infrared spectrometry (solid state) and quadrupole mass spectrometry (gas phase) resulted in the identification of six hydrocarbon molecules: methane (CH{sub 4}), the C2 species acetylene (C{sub 2}H{sub 2}), ethane (C{sub 2}H{sub 6}), the ethyl radical (C{sub 2}H{sub 5}), and—for the very first time in ethylene irradiation experiments—the C4 hydrocarbons 1-butene (C{sub 4}H{sub 8}) and n-butane (C{sub 4}H{sub 10}). By tracing the temporal evolution of the newly formed molecules spectroscopically online and in situ, we were also able to fit the kinetic profiles with a system of coupled differential equations, eventually providing mechanistic information, reaction pathways, and rate constants on the radiolysis of ethylene ices and the inherent formation of smaller (C1) and more complex (C2, C4) hydrocarbons involving carbon-hydrogen bond ruptures, atomic hydrogen addition processes, and radical-radical recombination pathways. We also discuss the implications of these results on the hydrocarbon chemistry on Titan's surface and on ice-coated, methane-bearing interstellar grains as present in cold molecular clouds such as TMC-1.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

PHOTODESORPTION OF SOLID CO{sub 2} BY LY{alpha}

We measured desorption of atoms and molecules from films of solid carbon dioxide in an ultrahigh vacuum from 6 to 60 K under irradiation with Ly{alpha} (121.6 nm, 10.2 eV) photons, an important process in the balance between gas phase and condensed molecules in the interstellar medium. The measurements use microgravimetry and mass spectrometry during irradiation and temperature programmed desorption after irradiation. At low photon fluences, the desorption flux consists mainly of O atoms and, after {approx}10{sup 17} photons cm{sup -2}, it is dominated by CO with smaller amount of O{sub 2}, C, and CO{sub 2}, with the presence of O{sub 2} indicating solid-state chemical reactions. At high fluences (up to 10{sup 18} photons cm{sup -2}){sub ,} the desorption yields saturate at values much higher than in previous studies. The yields (molecules/photon), derived assuming stoichiometric desorption, reach 0.014 at 6 K, growing to {approx}0.2 at 50 and 60 K. Warming the films during irradiation gives rise to pressure spikes that suggest desorption of trapped species in pores or at defects, possibly assisted by radical-induced reactions. Such an effect could be significant for radiation-processed CO{sub 2}-coated interstellar grains that are heated by, i.e., cosmic ray impacts or grain-grain collisions. We discuss the experiments considering photochemical mechanisms and compare them to the results of ion irradiation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

Grains charges in interstellar clouds

The charge of cosmic grains could play an important role in many astrophysical phenomena. It probably has an influence on the coagulation of grains and more generally on grain-grain collisions, and on interaction between charged particles and grains which could lead to the formation of large grains or large molecules. The electrostatic charge of grains depends mainly on the nature of constitutive material of the grain and on the physical properties of its environment: it results from a delicate balance between the plasma particle collection and the photoelectron emission, both of them depending on each other. The charge of the grain is obtained in two steps: (1) using the numerical model the characteristics of the environment of the grain are computed; (2) the charge of a grain which is embedded in this environment is determined. The profile of the equilibrium charge of some typical grains through different types of interstellar clouds is obtained as a function of the depth of the cloud. It is shown that the grain charge can reach high values not only in hot diffuse clouds, but also in clouds with higher densities. The results are very sensitive to the mean UV interstellar radiation field. Three parameters appear to be essential but with different levels of sensitivity of the charge: the gas density, the temperature, and the total thickness of the cloud.

Bel, N.↗

DOE OSTI2014

On the minimum core mass for giant planet formation at wide separations

In the core accretion hypothesis, giant planets form by gas accretion onto solid protoplanetary cores. The minimum (or critical) core mass to form a gas giant is typically quoted as 10 M {sub ⊕}. The actual value depends on several factors: the location in the protoplanetary disk, atmospheric opacity, and the accretion rate of solids. Motivated by ongoing direct imaging searches for giant planets, this study investigates core mass requirements in the outer disk. To determine the fastest allowed rates of gas accretion, we consider solid cores that no longer accrete planetesimals, as this would heat the gaseous envelope. Our spherical, two-layer atmospheric cooling model includes an inner convective region and an outer radiative zone that matches onto the disk. We determine the minimum core mass for a giant planet to form within a typical disk lifetime of 3 Myr. The minimum core mass declines with disk radius, from ∼8.5 M {sub ⊕} at 5 AU to ∼3.5 M {sub ⊕} at 100 AU, with standard interstellar grain opacities. Lower temperatures in the outer disk explain this trend, while variations in disk density are less influential. At all distances, a lower dust opacity or higher mean molecular weight reduces the critical core mass. Our non-self-gravitating, analytic cooling model reveals that self-gravity significantly affects early atmospheric evolution, starting when the atmosphere is only ∼10% as massive as the core.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Silicate dust in active galactic nuclei

The unification theory of active galactic nuclei (AGNs) hypothesizes that all AGNs are surrounded by an anisotropic dust torus and are essentially the same objects but viewed from different angles. However, little is known about the dust that plays a central role in the unification theory. There are suggestions that the AGN dust extinction law appreciably differs from that of the Galaxy. Also, the silicate emission features observed in type 1 AGNs appear anomalous (i.e., their peak wavelengths and widths differ considerably from that of the Galaxy). In this work, we explore the dust properties of 147 AGNs of various types at redshifts z≲0.5, with special attention paid to 93 AGNs that exhibit the 9.7 and 18 μm silicate emission features. We model their silicate emission spectra obtained with the Infrared Spectrograph aboard the Spitzer Space Telescope. We find that 60/93 of the observed spectra can be well explained with “astronomical silicate,” while the remaining sources favor amorphous olivine or pyroxene. Most notably, all sources require the dust to be micron-sized (with a typical size of ∼1.5 ± 0.1 μm), much larger than submicron-sized Galactic interstellar grains, implying a flat or “gray” extinction law for AGNs. We also find that, while the 9.7 μm emission feature arises predominantly from warm silicate dust of temperature T ∼ 270 K, the ∼5–8 μm continuum emission is mostly from carbon dust of T ∼ 640 K. Finally, the correlations between the dust properties (e.g., mass, temperature) and the AGN properties (e.g., luminosity, black hole mass) have also been investigated.

79 ASTRONOMY AND ASTROPHYSICS↗