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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Far-infrared spectra of CO2 clathrate hydrate frosts

As a product of our interest in remote sensing of planetary ices, frost samples of CO2 clathrate hydrate were grown by depositing water vapor on a cooled surface and pressurizing the resulting water frost with CO2 gas. At pressures above the dissociation pressure of the clathrate, the samples exhibit an absorption peak at 75 cm (sup -1). At pressures below the dissociation pressure, the peak disappears. Since the free CO2 molecule does not have rotational or vibrational absorption in this region, the absorption is attributed to a CO2 rattling mode within a clathrate cage.

Landry, J. C.↗
NASA NTRS1994

Analysis of the 3d(sup 6)4s((sup 6)D)4f-5g supermultiplet of Fe I in laboratory and solar infrared spectra

The combined laboratory and solar analysis of the highly excited subconfigurations 3d(sup 6)4s((sup 6)D)4f and 3d(sup 6)4s((sup 6)D)5g of Fe I has allowed us to classify 87 lines of the 4f-5g supermultiplet in the spectral region 2545-2585 per cm. The level structure of these JK-coupled configurations is predicted by semiempirical calculations and the quardrupolic approximation. Semiempirical gf-values have been calculated and are compared to gf-values derived from the solar spectrum. The solar analysis has shown that these lines, which should be much less sensitive than lower excitation lines to departures from Local Thermal Equilibrium (LTE) and to temperature uncertanties, lead to a solar abundance of iron which is consistent with the meteoritic value (A(sub Fe) = 7.51).

Johansson, S.↗
NASA NTRS1994

Iron alteration minerals in the visible and near-infrared spectra of low-albedo asteroids

Absorption features centered near 0.60-0.65 and 0.80-0.90 micrometers have been identified in the spectra of five low-albedo main-belt and outer-belt asteroids. These absorption features are attributed respectively to the (6)A(sub 1) goes to (4)T(sub 2)(G) and (6)A(sub 1) goes to (4)T(sub 1)(G) charge transfer transitions in minerals such as goethite, hematite, and jarosite that are products of the aqueous alteration of anhydrous silicates. A shoulder near 0.63 micrometers has also been identified in the absorption feature centered near 0.7 micrometers attributed to oxidized iron in phyllosilicates found predominantly in C- and G-class asteroids reflectance spectra. The coexistence of iron oxides with phyllosilicates in asteroids believed to have undergone aqueous alteration would be expected based upon analogy with terrestrial aqueous alteration and the observed mineralogy of carbonaceous chondrites. The number of low-albedo asteroids having only iron alteration absorption features compared to the number of low-albedo asteroids having spectral characteristics indicative of phyllosilicates is small. Either the conditions under which these asteroids formed are rare, or the iron alteration minerals could be formed in the interiors of objects where phyllosilicates dominate the surface mineralogy.

Vilas, Faith↗
NASA NTRS1995

Thermal infrared spectra of the Moon

Contrary to recent assertions in the literature, lunar emission spectra obtained at an altitude of 32 km with a balloon-borne telescope are virtually undistorted by atmospheric absorption, except in the ozone region. These spectra have been found to correlate closely with laboratory emission spectra of returned lunar samples measured in a simulated lunar environment. Thus, lunar spectra obtained with the balloon-borne telescope system are the standards against which groundbased spectral measurements of the Moon should be compared. Comparison of balloon-borne measurements with recent groundbased spectral measurements suggests that the latter suffer from some source of systematic error. When high-quality lunar spectra are available, they will be best interpreted by comparison with returned lunar samples, rather than terrestrial minerals or rocks, because of subtle spectral differences between lunar and terrestrial minerals perhaps associated with incipient alteration of the latter.

Salisbury, John W.↗
NASA NTRS1995

Infrared spectra of protostellar collapse

Theoretical models of the formation of low mass stars by cloud collapse predict that OI(63 micrometers) and IR rotational lines of CO and H2O dominate the cooling in the freefalling region 10-1000 AU from the protostar. The freefalling gas supersonically hits the protoplanetary disk orbiting the protostar, forming an accretion shock with strong IR emission in rotational lines of H2O and OH, and OI(63 microns). The accretion shock spectra and line profiles depend on the mass flux through the shock and the typical distance r-bar at which the freefalling gas strikes the disk. The line widths are of order the Keplerian speed, or approx. 10(r-bar/10AU)(exp -0.5) km/s, for the accretion shock lines, and less for the lines from the infalling gas. Measurements of the IR line fluxes and profiles from the freefalling gas and the accretion shock diagnoses how a protostar and disk are formed and requires high sensitivity and high spectral and spatial resolving power. SOFIA will be the optimum observatory for many of these lines, although ISO will contribute and the KAO may make a few pioneering detections.

Hollenbach, David J.↗
NASA NTRS1990

Velocity-Resolved Far-Infrared Spectra of [Fe 2]: Evidence for Mixing and Clumping in SN 1987A

We present approx. 400 km/s resolution profiles of the 17.94 and 25.99 micron [Fe II] transitions from SN 1987A at t approx. 400 days after core collapse. These observations used the facility cooled grating spectrometer aboard NASA's Kuiper Airborne Observatory. The two profiles are similar and have FWHM line widths of approx. 2700 km/s. The higher signal-to-noise 18 micron profile is somewhat asymmetric, falling off more steeply on the redshifted side than on the blue. Gaussian fits to the profiles yield an average centroid velocity of 280 +/- 140 km/s relative to the Large Magellanic Cloud. The wings of the profiles extend to velocities is approx. greater than 3000 km/s. This shows that a significant fraction of the iron has been mixed outward into the hydrogen-rich envelope, which has a minimum expansion velocity of 2100-2400 km/s. Both profiles also contain an unresolved 3-5 sigma emission feature on the redshifted wing at nu(LSR) approx. + 3900 km/s. We interpret this feature as emission from a high-velocity clump of material containing approx. 3% of the total iron mass. The total line flux of the 26 micron ground-state transition yields an optically thin, singly ionized iron mass of 0.026 solar mass, relatively independent of the assumed temperature. This is significantly less than the 0.06 Me of Fe+ determined from the decline of the optical light curve and the ionization of measured nickel lines, implying that the iron transitions still have appreciable optical depth. However, because of the small change in the 26 micron line flux from our measurement at 250 days, and the similarity of our profiles to the 1.26 micron [Fe II] profile, most of the emission is believed to originate from optically thin material with a temperature of 4406 +/- 400 K. A comparison of the data with spherically symmetric models indicates a power-law density exponent of -3.2 +/- 1.1 and a minimum expansion velocity of 650 +/- 650 km/s for this optically thin component. The [Fe II] line fluxes and profiles also imply that the remainder of the material has high optical depth and is distributed in clumps throughout the ejecta, rather than being concentrated at low velocities in the center of a smooth density distribution.

Haas, Michael R.↗
NASA NTRS1996

Mid-Infrared Spectra of Comets P/Borrelly, P/Faye, and P/Schaumasse

A 10 micron silicate emission feature has been discovered in the spectra of comets P/BorrelIy and P/Faye at R approximately 1.5 AU. These are the first short period comets in which silicate emission has definitely been detected. The broad emission features are about 25% above the continuum. No emission feature was present in the spectrum of P/Schaumasse; it is possible that the nucleus of P/Schaumasse was directly detected. If all of the observed flux originated from the nucleus, then the effective radius is about 3 km; the observed color temperature is consistent with a rapidly rotating nucleus. We present models that show how the shape of the silicate feature can depend on the way in which silicate and absorbing material are mixed in the grains.

Hanner, Martha S.↗
NASA NTRS1996

Infrared Spectra of Perdeuterated Naphthalene, Phenanthrene, Chrysene, and Pyrene

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of perdeuterated naphthalene, phenanthrene, pyrene, and chrysene. We also report matrix- isolation spectra for these four species. The theoretical and experimental frequencies and relative intensities for the perdeuterated species are in generally good agreement. The effect of perdeuteration is to reduce the sum of the integrated intensities by a factor of about 1.75. This reduction occurs for all vibrational motions, except for the weak low frequency ring deformation modes. There is also a significant redistribution of the relative intensities between the out-of-plane C-D bands relative to those found for the out-of-plane C-H bands. The theoretical isotopic ratios provide an excellent diagnostic of the degree of C-H(C-D) involvement in the vibrational bands, allowing in most cases a clear distinction of the type of motion.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1997

Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of 1-methylanthracene, 9-methylanthracene, 9-cyanoanthracene, 2-aminoanthracene, acridine, and their positive ions. The theoretical data are compared with matrix-isolation spectra for these species also reported in this work. The theoretical and experimental frequencies and relative intensities for the neutral species are in generally good agreement, whereas the positive ion spectra are only in qualitative agreement. Relative to anthracene, we find that substitution of amethyl or CN for a hydrogen does not significantly affect the spectrum other than to add the characteristic methyl C-H stretch and C-N stretch (near 2200/cm), respectively. However, addition of NH2 dramatically affects the spectrum of the neutral. Not only are the NH2 modes themselves strong, but this electron withdrawing group induces sufficient partial charge on the ring to give the neutral molecule characteristics of the anthracene cation spectrum. The sum of the absolute intensities is about four times larger for 2-aminoanthracene than for 9-cyanoanthracene. Substituting nitrogen in the ring at the nine position (acridine) does not greatly alter the spectrum compared with anthracene.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1998

Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Methyl Substitution and Loss of H

The B3LYP approach, in conjunction with the 4-31G basis set, is used to compute the harmonic frequencies of 1- and 2-methylnaphthalene, 1-, 2-, and 9-methylanthracene, and their cations. The IR spectra of the methyl substituted species are very similar to the parent spectra, except for the addition of the methyl C-H stretch at lower frequency than the aromatic C-H stretch. The loss of a single hydrogen from naphthalene, anthracene, and their cations is shown to have a very small effect on the IR spectra. Loss of a methyl hydrogen from 1- or 2-methylnaphthalene, or their cations, is shown to shift the side group C-H frequencies from below aromatic hydrogen stretching frequencies to above them. The loss of IT from 2-methylenenaphthalene shows only a small shift in the side group C-H stretching frequency.

Bauschlicher, Charles W.↗
NASA NTRS1998

Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Nitrogen Substitution

The B3LYP/4-31G approach is used to compute the harmonic frequencies of substituted naphthalene, anthracene, and their cations. The substitutions include cyano (CN), aminio (NH2), imino (NH), and replacement of a CH group by a nitrogen atom. All unique sites are considered, namely 1 and 2 for naphthalene and 1, 2, and 9 for an'tracene, except for the imino, where only 2-iminonaphthalene is studied. The IR spectra of these substituted species are compared with those of the unsubstituted molecules. The addition of a CN group does not significantly affect the spectra except to add the CN stretching frequency. Replacing a CH group by N has only a small effect on the IR spectra. The addition of the NH2 group dramatically affects the neutral spectra, giving it much of the character of the cation spectra. However, the neutral 2-irrinonaphthalene spectra looks more like that of naphthalene than like the 2-aminonaphthalene spectra.

Bauschlicher, Charles W.↗
NASA NTRS2005

Near Infrared Spectra of Mixtures Relevant to Icy Satellites

We will present near IR spectra of ice mixtures and review the differences between spectra of mixtures and those of pure solids: the creation of new features, weakening and shifting of bands, dependence on concentration, and changes with temperature. The forbidden CO2 (2nu3) overtone at 2.134 microns (4685/cm) is absent from the spectrum of pure CO2, but present in all of the following mixtures: H2O/CO2 = 5 and = 25, H2O:CH3OH:CO2 = 100:2.5:1, and CH3OH:CO2 = 5. Also, in mixtures of H2O and any other material, we see a feature at 1.89 microns (5290/cm) that is possibly related to the "dangling OH" feature at 2.73 microns (3360/cm). The features of a material in H2O are generally weaker and shifted to longer wavelength in comparison to the pure substance. For example, the largest near-IR absorption of pure solid CH4 is located at 2.324 microns (4303/cm) but is broader and at slightly longer wavelength in samples mixed with H2O. The degree of shifting and weakening depends on the ratio of the mixture. The mixture mentioned above was at a ratio of H2O/ CH4 = 3. When the ratio rises to H2O/ CH4 = 87, the CH4 feature at 2.324 microns is shifted to shorter wavelength and is much broader and weaker. In CH4/ H2O mixtures the peaks shift to higher frequency and become increasingly broad, but this trend is reversible on re-cooling, even though the phase transitions of H2O are irreversible. In short, mixtures created in the lab produce spectra that are very different from modeled combinations of end member species. Recent Cassini VIMS observations show the CO2 fundamental at 4.255 microns (2350/cm) on Iapetus [l] and at 4.26 microns (2347/cm) on Phoebe [2], while Galileo NIMS observed it at 4.25 microns (2353/cm) on Ganymede [3]. Since pure CO2 is located at 4.266 (2344/cm), the CO2 must be mixed with something else to produce the shift. A mixture of CH3OH:CO2 = 5 at 90 K shifts the fundamental to 4.262 microns (2346/cm). The shifts in the feature between satellites could indicate variations in concentration and temperature, or the introduction of a new compound, encouraging further lab investigation.

Mastrapa, Rachel M. E.↗
NASA NTRS2006

The Location of the CO2, Fundamental in Clathrate Hydrates and its Application to Infrared Spectra of Icy Solar System Objects

CO2 is present on the surface of many Solar System objects, but not always as a segregated, pure ice. In pure CO2-ice, the fundamental absorption is located near 4.268 micron (2343.3 wavenumbers). However, on several objects, the CO2 fundamental is shifted to higher frequency. This shift may be produced by CO2 gas trapped in another material, or adsorbed onto minerals. We have seen that a mixture of H2O, CH3OH4 and CO2 forms a type II clathrate when heated to 125 K and produces a CO2 fundamental near 4.26 micron. The exact location of the feature is strongly dependent on the initial ratio of the three components. We are currently exploring various starting ratios relevant to the Solar System to determine the minimum amount of CH3OH needed to convert all of the CO2 to the clathrate, i.e. eliminate the splitting of the CO2 fundamental. We are testing the stability of the clathrate to thermal processing and UV photolysis, and documenting the changes seen in the spectra in the wavelength range from 1-5 micron. We acknowledge financial support from the Origins of Solar Systems Program, the Planetary Geology and Geophysics and the NASA Postdoctoral Program.

Sandford, S. A.↗
NASA NTRS2006

Automated Classification of Thermal Infrared Spectra Using Self-organizing Maps

Existing and planned space missions to a variety of planetary and satellite surfaces produce an ever increasing volume of spectral data. Understanding the scientific informational content in this large data volume is a daunting task. Fortunately various statistical approaches are available to assess such data sets. Here we discuss an automated classification scheme based on Kohonen Self-organizing maps (SOM) we have developed. The SUM process produces an output layer were spectra having similar properties lie in close proximity to each other. One major effort is partitioning this output layer into appropriate regions. This is prefonned by defining dosed regions based upon the strength of the boundaries between adjacent cells in the SOM output layer. We use the Davies-Bouldin index as a measure of the inter-class similarities and intra-class dissimilarities that determines the optimum partition of the output layer, and hence number of SOM clusters. This allows us to identify the natural number of clusters formed from the spectral data. Mineral spectral libraries prepared at Arizona State University (ASU) and John Hopkins University (JHU) are used to test and evaluate the classification scheme. We label the library sample spectra in a hierarchical scheme with class, subclass, and mineral group names. We use a portion of the spectra to train the SOM, i.e. produce the output layer, while the remaining spectra are used to test the SOM. The test spectra are presented to the SOM output layer and assigned membership to the appropriate cluster. We then evaluate these assignments to assess the scientific meaning and accuracy of the derived SOM classes as they relate to the labels. We demonstrate that unsupervised classification by SOMs can be a useful component in autonomous systems designed to identify mineral species from reflectance and emissivity spectra in the therrnal IR.

Roush, Ted L.↗
NASA NTRS2006

Near Infrared Spectra of H2O/HCN Mixtures

Cassini's VIMS has already returned exciting results interpreting spectra of Saturn's icy satellites. The discovery of unidentified features possibly due to CN compounds inspired the work reported here. We wanted to test HCN as a possibility for explaining these features, and also explore how the features of HCN change when mixed with H2O. We have previously noted that mixing H20 and CO2 produces new spectral features and that those features change with temperature and mixing ratio.

Mastrapa, R. M.↗