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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
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.↗
NASA NTRS2004

Prospecting Jupiter in the Thermal Infrared: Temperatures and Dynamics

We present for the first time detailed maps of charged temperatures and winds in Jupiter's stratosphere, from infrared spectra acquired during the Cassini swingby of Jupiter. The maps reveal a high-altitude equatorial jet 1140 m s-', as strong as the cloud-top winds. It may result from wave forcing and be analogous to the quasi-biennial oscillation in the earth's stratosphere. The maps give the best characterization of the motions of stratospheric waves, and they better define the vertical penetration of the auroral hot spots into the stratosphere.

Flasar, F. M.↗
NASA NTRS2004

Photoevaporating Disks Around Young Stars

Ultraviolet radiation from the central star or from a nearby massive star heats the surfaces of protoplanetary disks and causes the outer, less gravitationally bound part of the disks, to photoevaporate into interstellar space. Photoevaporation is likely the most important dispersal mechanism for the outer regions of disks. We focus in this talk 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 discuss recent models of the effects of the radiation from the central low mass star including both the predicted infrared spectra from the heated disks as well as preliminary results on the photoevaporation rates.

Hollenbach, David↗
NASA NTRS2004

First Atmospheric Science Results from the Mars Exploration Rovers Mini-TES

Thermal infrared spectra of the martian atmosphere taken by the Miniature Thermal Emission Spectrometer (Mini-TES) were used to determine the atmospheric temperatures in the planetary boundary layer and the column-integrated optical depth of aerosols. Mini-TES observations show the diurnal variation of the martian boundary layer thermal structure, including a near-surface superadiabatic layer during the afternoon and an inversion layer at night. Upward-looking Mini-TES observations show warm and cool parcels of air moving through the Mini-TES field of view on a time scale of 30 seconds. The retrieved dust optical depth shows a downward trend at both sites.

Mars↗
NASA NTRS2005

Laboratory Synthesized Calcium Oxide and Calcium Hydroxide Grains: A Candidate to Explain the 6.8 Micron Band

We will demonstrate that CaO and Ca(OH)2 are excellent candidates to explain the 6.8 microns feature, which is one of the most obscure features in young stellar objects. We discuss the condensation of CaO grains and the potential formation of a Ca(OH)2 surface layer. The infrared spectra of these grains are compared with the spectra of fifteen young stellar objects. We note that CaO-rich grains are seen in all meteoritic CAIs (calcium-aluminum-rich inclusions) and the 6.8 micron feature has only been observed in young stellar objects. Therefore, we consider CaO grains to be a plausible candidate to explain the 6.8 microns feature and hypothesize that they are produced in the hot interiors of young stellar environments.

Kimura, Yuki↗
NASA NTRS2004

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Compounds and Their Ions: Phenazine, a Dual Substituted Polycyclic Aromatic Nitrogen Heterocycle - 7

The matrix-isolation technique has been employed to measure the mid-infrared spectra of phenazine (C12H8N2), a dual substituted Polycyclic Aromatic Nitrogen Heterocycle (PANH), in the neutral, cationic and anionic forms. The experimentally measured band frequencies and intensities are tabulated and compared with their calculated values as well as those of the non-substituted parent molecule, anthracene. The theoretical band positions and intensities were calculated using both the 3-31 G as well as the larger 6-3lG* Basis Sets. A comparison of the results can be found in the tables. The spectroscopic properties of phenazine and its cation are similar to those observed in mono-substituted PANHs, with one exception. The presence of a second nitrogen atom results in an additional enhancement of the cation's total integrated intensity, for the 1500-1000 cm(sup -1) (6.7 to 10 micron) region, over that observed for a mono-substituted PANH cation. The significance of this enhancement and the astrobiological implications of these results are discussed.

Mattioda, A. L.↗
NASA NTRS2005

Using Remote Sensing Data to Evaluate Surface Soil Properties in Alabama Ultisols

Evaluation of surface soil properties via remote sensing could facilitate soil survey mapping, erosion prediction and allocation of agrochemicals for precision management. The objective of this study was to evaluate the relationship between soil spectral signature and surface soil properties in conventionally managed row crop systems. High-resolution RS data were acquired over bare fields in the Coastal Plain, Appalachian Plateau, and Ridge and Valley provinces of Alabama using the Airborne Terrestrial Applications Sensor multispectral scanner. Soils ranged from sandy Kandiudults to fine textured Rhodudults. Surface soil samples (0-1 cm) were collected from 163 sampling points for soil organic carbon, particle size distribution, and citrate dithionite extractable iron content. Surface roughness, soil water content, and crusting were also measured during sampling. Two methods of analysis were evaluated: 1) multiple linear regression using common spectral band ratios, and 2) partial least squares regression. Our data show that thermal infrared spectra are highly, linearly related to soil organic carbon, sand and clay content. Soil organic carbon content was the most difficult to quantify in these highly weathered systems, where soil organic carbon was generally less than 1.2%. Estimates of sand and clay content were best using partial least squares regression at the Valley site, explaining 42-59% of the variability. In the Coastal Plain, sandy surfaces prone to crusting limited estimates of sand and clay content via partial least squares and regression with common band ratios. Estimates of iron oxide content were a function of mineralogy and best accomplished using specific band ratios, with regression explaining 36-65% of the variability at the Valley and Coastal Plain sites, respectively.

Sullivan, Dana G.↗