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NASA NTRS1997

Carbon in The Universe: PAHs and Clusters

Following the initial demonstration of this new technique (Science 265 1686 (1994)) and its application to a series of neutral PAHs which have been proposed as condidates for the UIRs (Nature 380, 227 (1996)), we have concentrated on two major aspects of this project. 1. Developing a detailed model for infrared emission spectra of a collection of highly excited PAH molecules, in which experimental bandshapes and temperature-dependent redshifts are used in conjunction with ab initio vibrational frequencies and intensities to simulate the UIR bands. This shows that a collection of nine different cations (as large as ovalene) reproduce the UIR features better than do a collection of the corresponding neutrals, but a detailed match with the UIRs is not obtained. 2. Construction of SPIRES apparatus for the study of PAH ion emission spectra. The design of this experiment is shown and described. Unfortunately a disasterous accident occurred just as we were preparing to start the testing of the ion apparatus. A vacuum implosion occurred, destroying the liquid He cooled monochromator. It has taken us nearly one full year to reconstruct this, and we arc only now in the final testing of the new system. We expect to try the ion experiments by the end of summer.

Saykally, Richard J.↗

NASA NTRS2002

Side Group Addition to the PAH Coronene by UV Photolysis in Cosmic Ice Analogs

Ultraviolet photolysis of various ice mixtures at low temperature and pressure caused the addition of amino (-NH2), methyl (-CH3), methoxy (-OCH3), and cyano (-CN) functional groups to the polycyclic aromatic hydrocarbon (PAH) coronene (C22H12). The implications of these results for interstellar and meteoritic chemistry are discussed. Previously only simple PAH photo-oxidation had been reported. This work represents the first experimental evidence that ice photochemistry may have contributed to aromatics bearing carbon and nitrogen containing side groups that are detected in primitive meteorites and interplanetary dust particles. Furthermore, these results suggest a wider range of modified PAHs should be expected in interstellar lees and materials predating solar system formation.

Bernstein, Max P.↗

NASA NTRS2015

PAHs in the Ices of Saturn's Satellites: Connections to the Solar Nebula and the Interstellar Medium

Aliphatic hydrocarbons and PAHs have been observed in the interstellar medium (e.g., Allamandola et al. 1985, Pendleton et al. 1994, Pendleton & Allamandola 2002, Tielens 2013, Kwok 2008, Chiar & Pendleton 2008) The inventory of organic material in the ISM was likely incorporated into the molecular cloud in which the solar nebula condensed, contributing to the feedstock for the formation of the Sun, major planets, and the smaller icy bodies in the region outside Neptune's orbit (transneptunian objects, or TNOs). Additional organic synthesis occurred in the solar nebula (Ciesla & Sandford 2012). Saturn's satellites Phoebe, Iapetus, and Hyperion open a window to the composition of one class of TNO as revealed by the near-infrared mapping spectrometer (VIMS) on the Cassini spacecraft at Saturn. Phoebe (mean diameter 213 km) is a former TNO now orbiting Saturn (Johnson & Lunine 2005). VIMS spectral maps of Phoebe's surface reveal a complex organic spectral signature consisting of prominent aromatic (CH) and aliphatic hydrocarbon (=CH2, -CH3) absorption bands (3.2-3.6 micrometers). Phoebe is the source of a huge debris ring encircling Saturn, and from which particles ((is) approximately 5-20 micrometers size) spiral inward toward Saturn (Verbiscer et al. 2009). They encounter Iapetus and Hyperion where they mix with and blanket the native H2O ice of those two bodies. Quantitative analysis of the hydrocarbon bands on Iapetus demonstrates that aromatic CH is approximately 10 times as abundant as aliphatic CH2+CH3, significantly exceeding the strength of the aromatic signature in interplanetary dust particles, comet particles, and in carbonaceous meteorites (Cruikshank et al. 2014). A similar excess of aromatics over aliphatics is seen in the qualitative analysis of Hyperion and Phoebe itself (Dalle Ore et al. 2012). The Iapetus aliphatic hydrocarbons show CH2/CH3 (is) approximately 4, which is larger than the value found in the diffuse ISM ((is) approximately 2-2.5). Insofar as Phoebe is a primitive body that formed in the outer regions of the solar nebula and has preserved some of the original nebula inventory, it can be key in understanding the content and degree of processing of that nebular material. A dynamical subset of TNOs define the Kuiper Belt, from which the short-period comets originate. Particles collected from comet 81P/Wild contain PAHs with an interstellar signature of deuterium. By inference, the PAHs contained in Phoebe and now dusted on the surfaces of two other Saturn satellites share that interstellar origin. There are other Phoebe-like TNOs that are presently beyond our ability to study in the organic spectral region, but JWST will open that possibility for a number of objects.

Solar nebula↗

NASA NTRS2019

PAH Products and Processing by Different Energy Sources

Isoviolanthrene (C34H18), a polycyclic aromatic hydrocarbon (PAH) molecule, was studied via matrix isolation in argon and water at 20 K. Infrared spectroscopy was performed in situ where samples were irradiated using ultraviolet light. Experimental spectra were compared to theoretical spectra for vibrational band assignment, determination of the corresponding A-values, and photoproduct identification. Isoviolanthrene was also deposited as a thin film and irradiated with different energy sources: ultraviolet photons (10.2 eV), soft electrons (1.5 keV), protons (1.5 MeV), and He+ particles (1.5 MeV), to understand the effects of different energy sources on a PAH. Anions and cations of soviolanthrene were produced as a result of UV photolysis in an argon matrix. Hydrogenand oxygen-rich aromatic photoproducts were produced by ultraviolet photons when isoviolanthrene was isolated in a water matrix. The irradiated PAH thin films results were dependent on the energy source. Irradiation with ultraviolet photons yielded a broad underlying feature centered at 9.6 μm, while bombardment with soft electrons gave a broad feature centered at 7.7 μm. In the case of proton bombardment, no broad feature was detected, in contrast with He+ bombardment that destroyed most of the isoviolanthrene and produced broad features in the C-Hoop and C–H stretching regions. A comparison of astronomical IR emission observations with our experimental results in the mid-infrared range has revealed a similarity between the observed plateaus and the broad features produced by our experiments.

astrochemistry – infrared: ISM – methods: laborato↗

NASA NTRS1988

On PAHs as interstellar grains - Infrared absorption coefficients

Consideration is given to the proposal that PAHs are the source of IR continuum and emission features and the visible diffuse bands. Absolute IR cross-sections have been obtained for eight PAHs. The results show that a thermal continuum is not consistent with the spectra obtained, and that an array of normal molecules shows a spectrum that is more complex than the observed spectrum. The cross-sections of the UV spectra are 2-3 orders of magnitude larger than those of the IR spectra. It is suggested that, to account for these observations, structure must be produced in the UV extinction curve.

Salisbury, D. W.↗

NASA NTRS1996

PAH Emission in the Orion Bar

The emission from polycyclic aromatic hydrocarbons (PAH's) in the Orion Bar region is investigated using a combination of narrow-band imaging and long-slit spectroscopy. The goal was to study how the strength of the PAH bands vary with spatial position in this edge-on photo-dissociation region. The specific focus here is how these variations constrain the carrier of the 3.4 micron band.

Bregman, Jesse↗

NASA NTRS1998

[PAH Cations as Viable Carriers of DIBs]

This report is intended to fill in the blanks in NASA's file system for our lab astro study of molecular ions of astrophysical interest. In order to give NASA what it needs for its files, I attach below the text of the section from our recent proposal to continue this work, in which we describe progress to date, including a large number of publications. Our initial studies were focused on PAH cations, which appear to be viable candidates as the carriers of the DIBs, an idea that has been supported by laboratory spectroscopy of PAH cations in inert matrices. Beginning with the simplest aromatic (benzene; C6H6) and moving progressively to larger species (naphthalene, C10OH8; pyrene, C16H10; and most recently chrysene, C18H12), we have been able to derive rate coefficients for reactions with neutral spices that are abundant in the diffuse interstellar medium.

Snow, Ted↗

NASA NTRS2000

From Interstellar PAHs and Ices to the Origin of Life

Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to micron-sized cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In dense molecular clouds, the birthplace of stars and planets, these cold dust particles are coated with mixed molecular ices whose composition is very well constrained. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by earlier interstellar chemistry standards, is widespread throughout the Universe. The first part of this lecture will describe how infrared studies of interstellar space, combined with laboratory simulations, have revealed the composition of interstellar ices (the building blocks of comets) and the high abundance and nature of interstellar PAHs. The laboratory database has now enabled us to gain insight into the identities, concentrations, and physical state of many interstellar materials. Within a dense molecular cloud, and especially in the solar nebula during the star and planet formation stage, the materials frozen into interstellar/precometary ices are photoprocessed by ultraviolet light, producing more complex molecules. The remainder of the presentation will focus on the photochemical evolution of these materials and the possible role of these compounds on the early Earth. As these materials are thought to be the building blocks of comets and related to the carbonaceous components of micrometeorites, they are likely to have been important sources of complex organic materials on the early Earth and their composition may be related to the origin of life.

Allamandola, Louis J.↗

NASA NTRS2000

Interstellar PAHs

Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in two closely related areas: observational astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely guessed at and the notion of abundant, gas phase, polycyclic aromatic hydrocarbons (PAHs) anywhere in the interstellar medium (ISM) considered impossible. Today the dust composition of the diffuse and dense ISM is reasonably well constrained and the spectroscopic case for interstellar PAHs, shockingly large molecules by early interstellar chemistry standards, is very strong.

Allamandola, Louis J.↗

NASA NTRS1994

A Search for Structure in PAH Emission in Extended Sources at 3.3 and 3.4 Microns

We have observed three extended sources of the infrared emission features associated with polycyclic aromatic hydrocarbons (PAHs), using a 128x128 InSb array mounted on the 1.5 m NASA/Steward telescope on Mt. Lemmon. We used a CVF (1.5% bandpass) to isolate the emission from the 3.29 and 3.40 microns PAH features in NGC 1333 #3, Sharpless 106, and the Orion Bar. In all three sources, the 3.29 and 3.40 microns emission features arise from the same regions, but show decidedly different structure. We are analyzing the images to determine the relationship of the 3.40 microns feature to the main feature at 3.29 microns. The 3.40 microns feature may be a vibrational overtone of the 3.29 microns feature, or it may arise from attached molecular sidegroups.

Bregman, Jesse↗

NASA NTRS1996

Hn PAHs and the 2940 and 28050/cm (3.40 and 3.51 Microns) Infrared Emission Features

The 3150-2700/cm (3.17-3.70 microns) range of the spectra of a number of Ar matrix isolated PAHs containing excess H atoms (Hn-PAHs) are presented. This region covers features produced by aromatic and aliphatic C-H stretching vibrations as well as overtone and combination bands involving lower lying fundamentals. It is demonstrated that the aliphatic C-H stretches in molecules of this type having low-to-modest excess H coverage provide excellent fits to a number of the weak emission features superposed on the plateau between 3080 and 2700/cm (3.25 and 3.7 microns) in the spectra of many planetary nebulae, reflection nebulae, and HII regions. Higher H coverage is implied for a few objects. We compare these results in context with the other suggested identifications of the emission features in the 2950-2700/cm (3.39-3.70 microns) region and briefly discuss their astrophysical implications.

Bernstein, Max↗

NASA NTRS2002

Pulsed Discharge Nozzle Cavity Ring Down Spectroscopy of Cold PAH Ions

The gas-phase electronic absorption spectra of the naphthalene (C10H8(+)) and acenaphthene (C12H10(+)) cations have been measured in the visible range in a free 10 jet planar expansion in an attempt to collect data in an astrophysically relevant environment. The direct absorption spectra of two out of four bands measured of the gas-phase cold naphthalene cation along with the gas-phase vibronic absorption spectrum of the cold acenaphthene cation are reported for the first time. The study has been carried out using the ultrasensitive and versatile technique of cavity ringdown spectroscopy (CRDS) coupled to a pulsed discharge slit nozzle (PDN). The new CRDS-PDN set up is described and its characteristics are evaluated. The direct-absorption spectra of the PAH ions are discussed and compared to the gas-phase and solid-phase data available in the literature. The analysis of the results show that cold, free flying PAH ions are generated in the argon discharge primarily through soft Penning ionization. This enables the intrinsic band profiles to be measured, a key requirement for astrophysical applications.

Biennier, Ludovic↗

NASA NTRS2002

Deuterated PAHs in Space

The cosmic deuterium to hydrogen (D/H) ratio is of key importance from a cosmological and stellar evolution perspective since deuterium originates from big-bang nucleosynthesis and is destroyed by stellar thermonuclear reactions. Further, from the interstellar perspective, the galactic distribution of deuterium and the D/H ratio among various molecular species also traces interstellar chemical evolution. Over the past few decades, radio observations have enabled the study of a handful of small, deuterated interstellar species. However, the number of deuterated species detected and environments probed are limited, raising issues of selection effects that hamper generalization and applications to other environments. Infrared spectroscopy of the interstellar medium offers a distinct advantage in this regard as the extent of deuteration of entire chemical families, rather than one species, can be probed. These observations require spaceborne telescopes because the molecular vibrations involving D which produce the strongest IR bands fall in spectral regions which are obscured by terrestrial CO2 absorption. Here we report the tentative detection of the C-D stretching vibration from deuterated interstellar polycyclic aromatic hydrocarbons in the Orion nebula. Since the PAH emission features are widespread and probe many different types of cosmic environments, follow up observations of deuterated PAHs will provide fundamental, far reaching new insight and perspective into galactic and extragalactic processes.

Peeters, Els↗

NASA NTRS2004

Mid and Near-IR Absorption Spectra of PAH Neutrals and Ions in H20 Ice to Facilitate their Astronomical Detection

Polycyclic aromatic hydrocarbons (PAHs) are believed to be the most abundant and widespread class of organic compounds in the universe, having been observed in emission towards energetic regions and absorption towards colder ones.We will present IR spectra of PAHs and their cations in H20 ice measured in the laboratory in the hopes that this will facilitate the detection of these features in the interstellar medium.

Bernstein, Max P.↗

NASA NTRS2007

Stellar Evolutionary Effects on the Abundances of PAH and SN-Condensed Dust in Galaxies

Spectral and photometric observations of nearby galaxies show a correlation between the strength of their mid-IR aromatic features, attributed to PAH molecules, and their metal abundance, leading to a deficiency of these features in low-metallicity galaxies. We suggest that the observed correlation represents a trend of PAH abundance with galactic age, reflecting the delayed injection of carbon dust into the ISM by AGB stars in the final post-AGB phase of their evolution. We also show that larger dust particles giving rise to the far-IR emission follow a distinct evolutionary trend closely related to the injection of dust by massive stars into the ISM.

Dwek, Eliahu↗

NASA NTRS2024

The Atacama Cosmology Telescope: Galactic Dust Structure and the Cosmic PAH Background in Cross-correlation with WISE

We present a cross-correlation analysis between 1ʹ resolution total intensity and polarization observations from the Atacama Cosmology Telescope (ACT) at 150 and 220 GHz and 15ʺ mid-infrared photometry from the Wide-field Infrared Survey Explorer (WISE) over 107 12°.5 × 12°.5 patches of sky. We detect a spatially isotropic signal in the WISE×ACT TT cross-power spectrum at 30σ significance that we interpret as the correlation between the cosmic infrared background at ACT frequencies and polycyclic aromatic hydrocarbon (PAH) emission from galaxies in WISE, i.e., the cosmic PAH background. Within the Milky Way, the Galactic dust TT spectra are generally well described by power laws in ℓ over the range 10 3 < ℓ < 10 4 , but there is evidence both for variability in the power-law index and for non-power-law behavior in some regions. We measure a positive correlation between WISE total intensity and ACT E-mode polarization at 1000 < ℓ ≲ 6000 at >3σ in each of 35 distinct ∼100 deg 2 regions of the sky, suggesting that alignment between Galactic density structures and the local magnetic field persists to subparsec physical scales in these regions. The distribution of TE amplitudes in this ℓ range across all 107 regions is biased to positive values, while there is no evidence for such a bias in the TB spectra. This work constitutes the highest-ℓ measurements of the Galactic dust TE spectrum to date and indicates that cross-correlation with high-resolution mid-infrared measurements of dust emission is a promising tool for constraining the spatial statistics of dust emission at millimeter wavelengths.

Rodrigo Córdova Rosado↗

NASA NTRS2023

PAHs, Hydrocarbons, and Dimethylsulfides in Asteroid Ryugu Samples A0106 and C0107 and the Orgueil (CI1) Meteorite

Evaluating the molecular distribution of organic compounds in pristine extraterrestrial materials is cornerstone to understanding the abiotic synthesis of organics and allows us to better understand the molecular diversity available during the formation of our solar system and before the origins of life on Earth. In this work we identify multiple organic compounds in solvent extracts of asteroid Ryugu samples A0106 and C0107 and the Orgueil meteorite using two-dimensional gas chromatography and time-of-flight high resolution mass spectrometry (GC×GC-HRMS). Our analyses found similarities between the molecular distribution of organic compounds in Ryugu and the CI carbonaceous chondrite Orgueil. Specifically, several PAHs and organosulfides were found in Ryugu and Orgueil suggesting an interstellar and parent body origin for these compounds. We also evaluated the common relationship between Ryugu, Orgueil, and comets like Wild-2; however, until comprehensive compound-specific isotopic analyses for these organic species are undertaken, and until the effects of parent body processes and Earth’s weathering processes on meteoritic organics are better understood, their parent-daughter relationships will remain unanswered. Finally, the study of organic compounds in Ryugu samples and the curation practices for the future preservation of these unvaluable materials are also of special interest for future sample return missions, including NASA’s OSIRIS-REx asteroid sample return mission.

Hayabusa2↗

NASA NTRS1986

The possible existence of interstellar Polycyclic Aromatic Hydrocarbons (PAHs) in collected interplanetary dust particles

Extraterrestrial dust particles which are 3 to 50 microns in size are routinely collected in the stratosphere and are now available for general laboratory study. These grains represent true Interplanetary Dust Particles (IDPs). Issues associated with the carbon containing components of IDPs which occur in a variety of physical forms, including amorphous mantles and matrix materials, are addressed. The observed properties of the hydrocarbon phase in IDPs are compared with those expected for polycyclic aromatic hydrocarbons (PAHs).

Sandford, S. A.↗