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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbon Cations: The Members - 3

In spite of the fact that the infrared spectroscopic properties of only a few isolated ionized polycyclic aromatic hydrocarbons (PAHs) are known, gaseous, ionized PAHs are thought to be responsible for a very common family of infrared interstellar emission bands. In order to provide a data base to test this hypothesis and, if borne out, to use this emission band family as a probe of many different interstellar environments, we are carrying out a thorough study of the infrared spectroscopic properties of neutral and ionized PAHs in argon matrices. Here we present the near and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo[e]pyrene, benzo[ghilperylene, and coronene. The properties of naphthalene, the first member of the series, are given elsewhere. The spectra of perdeuterated phenanthrene and pyrene are also reported. For those molecules which have been previously studied (pyrene, d(10)-pyrene, and coronene), band positions and relative intensities are in agreement. In all cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeutero-phenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene,the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 5-20 times weaker than in the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

Hudgins, D. M.↗
NASA NTRS2001

One Martian Year of Atmospheric Observations by the Thermal Emission Spectrometer

The Mars Global Surveyor has completed one full Martian year of mapping. Infrared spectra returned by the Thermal Emission Spectrometer (TES) are very well suited for monitoring the thermal structure and the distribution of aerosols and water vapor in the Mars atmosphere. Nadir-viewing spectra allow a global picture of the state of the Mars atmosphere on a daily basis. We report here on the observed annual cycle of the latitudinal dependence of atmospheric temperature, dust aerosols, water-ice clouds, and water vapor.

Smith, Michael D.↗
NASA NTRS1995

Astronomical Problems and Laboratory Solutions

Studying the chemical and isotopic composition of interstellar ice and dust provides insight into the composition and chemical history of the solid bodies in the solar nebula and the nature of the material subsequently brought into the inner part of the solar system by comets and meteorites. It is now possible to probe the composition of these microscopic interstellar particles (some hundreds of light years away), thanks to substantial progress in two areas: astronomical spectroscopic techniques in the middle-infrared, the spectral region most diagnostic of composition; and laboratory simulations which realistically reproduce the critical conditions in various interstellar environments. High quality infrared spectra of many different astronomical sources, some associated with dark molecular clouds, and others in the diffuse interstellar medium (DISM) are now available. What comparisons of these spectra with laboratory spectra tell us about the complex organic components of these materials is the subject of this talk. Most interstellar material is concentrated in large molecular clouds where simple molecules are formed by gas phase and dust grain surface reactions. Gaseous species (except H2) striking the cold (10K) dust will stick, forming an icy grain mantle. This accretion, coupled with energetic particle bombardment and UV photolysis, will produce a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. One can compare spectra of the diffuse and dense interstellar medium with the spectra of analogs produced in the laboratory under conditions which mimic those in these different environments. In this way one can determine the composition and abundances of the major constituents present and place general constraints on the types and relative abundances of organics coating the grains. Ices in dense clouds contain H2O, CH3OH, CO, perhaps some NH3 and H2CO, as well as nitriles and ketones or esters. there is some evidence that the later, more complex species, are also present on the grains in the DISM. The evidence for these materials, in addition to carbon rich materials such as amorphous carbon, microdiamonds, and polycyclic aromatic hydrocarbons will be reviewed and the possible connection with meteoritic organics will be discussed.

Allamandola, L. J.↗
NASA NTRS1996

The 2140 cm(exp -1) (4.673 Microns) Solid CO Band: The Case for Interstellar O2 and N2 and the Photochemistry of Non-Polar Interstellar Ice Analogs

The infrared spectra of CO frozen in non-polar ices containing N2, CO2, O2, and H2O, and the ultraviolet photochemistry of these interstellar/precometary ice analogs are reported. The spectra are used to test the hypothesis that the narrow 2140/cm (4.673 micrometer) interstellar absorption feature attributed to solid CO might be produced by CO frozen in ices containing non-polar species such as N2 and O2. It is shown that mixed molecular ices containing CO, N2, O2, and CO2 provide a very good match to the interstellar band at all temperatures between 12 and 30 K both before and after photolysis. The optical constants (real and imaginary parts of the index of refraction) in the region of the solid CO feature are reported for several of these ices.

Elsila, Jamie↗
NASA NTRS1996

Observations of Ices in Star-Forming Regions

Ground-based, air-borne, and space-based infrared spectra of protostars show prominent absorption features at 3.08, 3.54, 4.23, 4.67, 4.9, 6.0, 6.85, and 7.6 micrometers. These features are due to simple molecules such as H2O, CH3OH, CO2, CO, OCS, and CH4 in accreted icy grain mantles. These studies have revealed the presence of several independent ice components, often along the same line of sight. The observations and proposed identifications will be reviewed with the emphasis on recent results from ISO and on the organic inventory of interstellar ices. These molecular grain mantles are thought to form by accretion and reaction of gas phase species on a grain surface. Observed abundances will be compared with theoretical calculations and the important grain surface routes will be delineated. The importance of the 'diffusion' limit will be emphasized.

Tielens, Alexander G. G. M.↗
NASA NTRS1997

Analysis of Forest Foliage Using a Multivariate Mixture Model

Data with wet chemical measurements and near infrared spectra of ground leaf samples were analyzed to test a multivariate regression technique for estimating component spectra which is based on a linear mixture model for absorbance. The resulting unmixed spectra for carbohydrates, lignin, and protein resemble the spectra of extracted plant starches, cellulose, lignin, and protein. The unmixed protein spectrum has prominent absorption spectra at wavelengths which have been associated with nitrogen bonds.

Hlavka, C. A.↗
NASA NTRS1998

An Infrared Spectroscopic and Density Functional Theoretical Investigation of the Reaction Products of Laser-Ablated Scandium and Titanium Atoms with Nitric Oxide

Laser-ablated Sc and Ti atoms have been reacted with NO during condensation in excess argon. Matrix infrared spectra show that the major products are the side bonded Sc[NO] species and the inserted NScO and NTiO molecules based on isotopic substitution (15NI6O and 15N18O) and DIFT calculations of isotopic frequencies, which provide a match for two modes in three isotopic modifications for each molecule. The NScO and NTiO molecules are nitride/oxides with M-O stretching modes only 46-88/cm below the diatomic metal oxides but M-N stretching modes 314-442/cm lower than the diatomic metal nitride molecules. The ScN, ScO, TiN, and TiO molecules are observed as decomposition products. Evidence is also presented for the nitrosyls ScNO and TiNO, the Sc[NO]+ cation, and the NTiO- anion.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2002

Intercalibration of Mars Global Surveyor Datasets

The calibration and validation of satellite soundings of atmospheric variables is always a difficult prospect, but this difficulty is greatly magnified when the measurements are made at a different planet, whose meteorology is poorly known and poorly constrained, and for which there are virtually no prospects of obtaining ground truth. The Mars Global Surveyor which has been circling Mars in its mapping orbit since early 1999 includes a variety of instruments capable of making atmospheric observations: the Thermal Emission Spectrometer (TES) which takes more than 100,000 nadir-view infrared spectra per day (although these observations are confined to the 2am - 2pm time of the sun-fixed orbit); much less frequent TES limb scans (still only at 2am and 2pm); the Mars Horizon Sensor Assembly measures side-looking broadband 15 micrometer radiation; Radio Science occultations at favorable seasons give high resolution temperature profiles; the Mars orbiter Camera and Mars Orbiter Laser Altimeter have made water, dust, and carbon dioxide cloud detections. These observations are now being supplemented by high-resolution 15 micron measurements by THEMIS on Mars Odyssey. Thus, all of these observations are made at different times and places. Data assimilation techniques are being used to fuse this vast array of observations into a single dataset that best represents our understanding of the Martian atmosphere, its current meteorological state, and the relevant instrumental properties.

Houben, Howard↗
NASA NTRS1999

Symmetry Breaking and the B3LYP Functional

The infrared spectra of six molecules, each of which contains a five-membered ring, and their cations are determined using density functional theory (DFT); both the B3LYP and BP86 functionals are used. The computed results are compared with the experimental spectra. For the neutral molecules, both methods are in good agreement with experiment. Even the Hartree-Fock (HF) approach is qualitatively correct for the neutrals. For the cations, the HF approach fails, as found for other organic ring systems. The B3LYP and BP86 approaches are in good mutual agreement for five of the six cation spectra, and in good agreement with experiment for four of the five cations where the experimental spectra are available. It is only for the fluoranthene cation, where the BP86 and B3LYP functionals yield different results; the BP86 yields the expected C2v symmetry, while the B3LYP approach breaks symmetry. The experimental spectra supports the BP86 spectra over the B3LYP, but the quality of the experimental spectra does not allow a critical evaluation of the accuracy of the BP86 approach for this difficult system.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2002

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Nitrogen Heterocycles (PANHs)

The mid-infrared spectra of the nitrogen-containing heterocyclic polycyclic aromatic compounds 1-azabenz[a]-anthracene; 2-azabenz[a]anthracene; 1-azachrysene; 2-azachrysene; 4-azachrysene; 2-azapyrene, and 7,8 benzoquinoline in their neutral and cation forms were investigated. The spectra of these species isolated in an argon matrix have been measured. Band frequencies and intensities were tabulated and these data compared with spectra computed using density functional theory at the B3LYP level. The overall agreement between experiment and theory is quite good, in keeping with earlier results on homonuclear polycyclic aromatic hydrocarbons. The differences between the spectral properties of nitrogen bearing aromatics and non-substituted, neutral polycyclic aromatic hydrocarbons will be discussed.

Mattioda, A. L.↗
NASA NTRS2003

Solar System Connections to the Organic Material In the ISM

The organic component of the interstellar medium (ISM) has relevance to the formation of the early solar nebula, since our solar system formed out of ISM material. Comparisons of near infrared spectra of the diffuse ISM dust with those of primitive solar system bodies (such as comets and meteorites) show a remarkable similarity, suggesting that perhaps some of the interstellar organic material made its way, unaltered, into our solar system. Tracing the interstellar organic material is necessary to understand how these materials may be important links in the development of prebiotic phenomena. Studies of the ISM reveal that the organic refractory component of the diffuse ISM is largely hydrocarbon in nature, possessing little N or O, with carbon distributed between the aromatic and aliphatic forms. There is a strong similarity in the near IR spectra of the diffuse ISM (the 3.4 micron hydrocarbon bands) and those seen in the Murchison and Orgueil meteorites, however, detailed comparisons at longer wavelengths reveal critical dissimilarities. Here we will present comparisons and discussion of relevant spectra. As we continue to explore, we will gain insight into the connection between planetesimals in the solar system and chemistry in the dusty space between the stars.

Pendleton, Yvonne J.↗
NASA NTRS2004

Studies of Circumstellar Disk Evolution

Spitzer Space Telescope infrared data for our program on disk evolution has been taken (the main IRAC - 3-8 micron exposures; the 24 and 70 micron MIPS data are to come later). We now have deep maps in the four IRAC bands of the 3-Myr-old cluster Trumpler 37, and the 10-Myr-old cluster NGC 7160. Analysis of these data has now begun. We will be combining these data with our ground-based photometric and spectroscopic data to obtain a complete picture of disk frequency as a function of mass through this important age range, which spans the likely epoch of (giant) planet formation in most systems. Analysis of the SIRTF data, and follow-on ground-based spectroscopy on the converted MMT telescope using the wide-field, fiber-fed, multiobject spectrographs, Hectospec and Hectochelle, will be the major activity during the next year.Work was also performed on the following: protoplanetary disk mass accretion rates in very low-mass stars; the inner edge of T Tauri disks; accretion in intermediate-mass T Tauri stars (IMPS); and the near-infrared spectra of the rapidly-accreting protostellar disks FU Ori and V1057 Cyg.

Hartmann, Lee W.↗
NASA NTRS2004

Tracing Meteorites to Their Sources Through Asteroid Spectroscopy

The goal of tracing meteorites to their main-belt sources is seemingly impossible given the inherent uncertainties in relating astronomical remote sensing measurements of asteroids to laboratory measurements of meteorites. What's more, the chaotic routes for delivery of meteorites would seem to be sufficient to mask any trace of their points of origin. Yet reasonably compelling links can be made for the origin for two meteorite types: highly reduced enstatite achondrites (aubrites) appear to have a source from the inner most edge of the main-belt known as the Hungaria region; reduced basaltic achondrite howardite-eucrite-diogenite (HED) meteorites are plausibly derived from the large asteroid 4 Vesta. Beyond these specific examples, we seek to find additional evidence to more thoroughly pinpoint original locations for the much wider range of meteorite types and the oxidation environments they sample. A discussion on Near Earth asteroids along with CCD visible and near-infrared spectra observations are presented.

Binzel, R. P.↗
NASA NTRS2004

Lunar and Planetary Science XXXV: Interplanetary Dust and Aerogel

Contents include the following: Isotopically Primitive Interplanetary Dust Particles of Cometary Origin: Evidence from Nitrogen Isotopic Compositions. The Solar Nebula s First Accretionary Particles (FAPs) Are They Preserved in Collected Interplanetary Dust Samples? On the Origin of GEMS. An Analytical SuperSTEM for Extraterrestrial Materials Research. Sub-Micrometer Scale Minor Element Mapping in Interplanetary Dust Particles: A Test for Stratospheric Contamination. First Report of Taenite in an Asteroidal Interplanetary Dust Particle: Flash-heating Simulates Nebular Dust Evolution. FTIR Analyses of IDPs: Comparison with the InfraRed Spectra of the Interstellar Medium. Mineralogical Study of Hydrated IDPs: X-Ray Diffraction and Transmission Electron Microscopy. Focused Ion Beam Recovery and Analysis of Interplanetary Dust Particles (IDPs) and Stardust Analogues. Technique for Concentration of Carbonaceous Material from Aerogel Collectors Using HF-Vapor Etching. Synchrotron X-Ray Analysis of Captured Particle Residue in Aerogel. In-Situ Analyses of Earth Orbital Grains Trapped in Aerogel, Using Synchrotron X-Ray Microfluorescence Techniques. Igneous Rims on Micrometeorites and the Sizes of Chondrules in Main Belt Asteroids.

Source record↗
NASA NTRS2004

Lunar and Planetary Science XXXV: Mars

The session "Mars" included the following reports:Tentative Theories for the Long-Term Geological and Hydrological Evolution of Mars; Stratigraphy of Special Layers Transient Ones on Permeable Ones: Examples from Earth and Mars; Spatial Analysis of Rootless Cone Groups on Iceland and Mars; Summer Season Variability of the North Residual Cap of Mars from MGS-TES; Spectral and Geochemical Characteristics of Lake Superior Type Banded Iron Formation: Analog to the Martian Hematite Outcrops; Martian Wave Structures and Their Relation to Mars; Shape, Highland-Lowland Chemical Dichotomy and Undulating Atmosphere Causing Serious Problems to Landing Spacecrafts; Shear Deformation in the Graben Systems of Sirenum Fosssae, Mars: Preliminary Results; Components of Martian Dust Finding on Terrestrial Sedimentary Deposits with Use of Infrared Spectra; Morphologic and Morphometric Analyses of Fluvial Systems in the Southern Highlands of Mars; Light Pattern and Intensity Analysis of Gray Spots Surrounding Polar Dunes on Mars; The Volume of Possible Ancient Oceanic Basins in the Northern Plains of Mars MARSES: Possibilities of Long-Term Monitoring Spatial and Temporal Variations and Changes of Subsurface Geoelectrical Section on the Base; Results of the Geophysical Survey Salt/Water Interface and Groundwater Mapping on the Marina Di Ragusa, Sicily and Shalter Island, USA ;A Miniature UV-VIS Spectrometer for the Surface of Mars; Automatic Recognition of Aeolian Ripples on Mars; Absolute Dune Ages and Implications for the Time of Formation of Gullies in Nirgal Vallis, Mars; Diurnal Dust Devil Behaviour for the Viking 1 Landing Site: Sols 1 to 30; Topography Based Surface Age Computations for Mars: A Step Toward the Formal Proof of Martian Ocean Recession, Timing and Probability; Gravitational Effects of Flooding and Filling of Impact Basins on Mars; Viking 2 Landing Site in MGS/MOC Images South Polar Residual Cap of Mars: Features, Stratigraphy, and Changes.

Source record↗
NASA NTRS2004

Vibrational Spectroscopy of Ions and Radicals Present in the Interstellar Medium and in Planetary Atmospheres: A Theoretical Study

Anharmonic vibrational frequencies and intensities are calculated for OH(H2O)n and H(H2O)n radicals (that form on icy particles of the interstellar medium), HCO radical (the main intermediate in the synthesis of organic molecules in space), NH2(-) and C2H(-) anions, H5(+) cation, and other systems relevant to interstellar chemistry. In addition to pure ions and radicals, their complexes with water are studied to assess the effects of water environment on infrared spectra. The calculations are performed using the correlation-corrected vibrational self-consistent field (CC-VSCF) method with ab initio potential surfaces at the MP2 and CCSD(T) levels. Fundamental, overtone, and combination excitations are computed. The results are in good agreement with available experimental data and provide reliable predictions for vibrational excitations not yet measured in laboratory experiments. The data should be useful for interpretation of astronomically observed spectra and identification of ions and radicals present in the interstellar medium and in planetary atmospheres.

Chaban, Galina M.↗
NASA NTRS2004

Disk Dispersal Around Young Stars

We first review the evidence pertaining to the lifetimes of planet-forming disks of gas and dust around young stars and discuss possible disk dispersal mechanisms: 1) viscous accretion of material onto the central source, 2) close stellar encounters, 3) stellar winds, and 4) photoevaporation caused by the heating of the disk surface by ultraviolet radiation. Photoevaporation is likely the most important dispersal mechanism for the outer regions of disks, and this talk focuses on the evaporation caused by the presence of a nearby, luminous star rather than the central star itself. We also focus on disks around low-mass stars like the Sun rather than high-mass stars, which we have treated previously. Stars often form in clusters and the ultraviolet flux from the most luminous star in the cluster can have a dramatic effect on the disk orbiting a nearby low-mass star. We apply our theoretical models to the evaporating protoplanetary disks (or "proplyds") in the Trapezium cluster in Orion, to the formation of gas giant planets like Jupiter around Sun-like stars in the Galaxy, and to the formation of Kuiper belts around low mass stars. We find a possible explanation for the differences between Neptune and Jupiter, and make a prediction concerning recent searches for giant planets in large clusters. We discuss recent models of the infrared spectra from gaseous disks around young stars.

Hollenbach, David↗
NASA NTRS2004

A LEO Hyperspectral Mission Implementation for Global Carbon Cycle Observations

For both terrestrial and ocean carbon cycle science objectives, high resolution (less than l0 nm) imaging spectrometers capable of acquiring multiple regional to global scale observations per day should enable the development of new remote sensing measurements for important but as yet unobservable variables, with the overall goal of linking both terrestrial and ocean carbon cycle processes to climate variability. For terrestrial research, accurate estimates of carbon, water and energy (CWE) exchange between the terrestrial biosphere and atmosphere a needed to id- the geographical locations and temporal dynamics of carbon sources/sinks and to improve regional climate models and climate change assessments. It is an enormous challenge to estimate CWE exchange from the infrequent temporal coverage and sparse spectral information provided by most single polar-orbiting, earth-looking satellite. The available satellite observations lack a sufficient number of well-placed narrow bands from which to derive spectral indices that capture vegetation responses to stress conditions associated with down-regulation of photosynthesis. Physiological status can best be assessed with spectral indices based on continuous, narrow bands in the visible/near infrared spectra, as can seasonal and annual terrestrial productivity. For coastal and ocean constituents, narrow-band observations in the ultraviolet and visible are essential to investigate the variability, dynamics and biogeochemical cycles of the world's coastal and open ocean regions, which will in turn help in measuring ocean productivity and predicting the variability of ocean carbon uptake and its role in climate change.

Gervin, Janette C.↗