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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Infrared observations of 1612 MHz IR/OH sources.

IR spectra and photometry are given for several IR objects which are known to have 1612 MHz OH emission. These IR/OH sources are shown to be either M type Mira variables or M supergiants with photospheric temperatures around 2000 K. All those examined are oxygen rich and none are carbon stars which suggests a high abundance of OH in their photospheres. A significant fraction of the total luminosity is emitted in the IR beyond 3.5 microns which is taken to imply a dust shell structure around the central star. There is no evidence which uniquely requires that IR pumping of the OH maser is taking place; there are, however, generally enough near infrared photons to supply the observed microwave energy.

Hyland, A. R.↗
NASA NTRSDate not supplied

Polycyclic aromatic hydrocarbons (PAHs)

Polycyclic aromatic hydrocarbons (PAHs) are the most abundant, large, carbon-based, molecular species in the interstellar medium (ISM). They are responsible for a series of prominent infrared (IR) emission features that dominate the IR spectra of many astronomical sources. The recent detection of cyano-naphthalene in TMC-1 (molecular cloud) and fullerenes in Tc 1 (planetary nebula) bracket the presumed evolutionary pathway of astronomical PAHs; from their formation to ending up in their most-stable forms. Furthermore, their discovery indicates a rich, complex ongoing PAH chemistry. Significant progress has been made in connecting the (photo)chemical evolution of the astronomical PAH population to variations observed in the interstellar PAH IR bands. Subsequently, these variations have been tied to distinct stages of the stellar life-cycle. However, questions remain regarding some components of the astronomical PAH IR emission spectrum. One concerns the origin and evolution of the weaker plateaus that sit beneath the main features and extend from roughly 3.2-3.6, 6-9, 11-15, and 15-20 µm. Observations from JWST will provide the opportunity to investigate subtle changes in the PAH IR bands with unprecedented sensitivity. This presents an exciting opportunity for the field of astrochemistry.

Polycyclic aromatic hydrocarbons;↗
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 NTRS1989

The effect of ionization on the infrared absorption spectra of PAHs: A preliminary report

The emission lines observed in many interstellar IR sources at 3.28, 6.2, 7.7, 8.7, and 11.3 microns are theorized to originate from polycyclic aromatic hydrocarbons (PAHs). These assignments are based on analyses of lab IR spectra of neutral PAHs. However, it is likely that in the interstellar medium that PAHs are ionized, i.e., are positively charged. Besides, as pointed out by Allamandola et al., although the IR emission band spectrum resembles what one might expect from a mixture of PAHs, it does not match in details such as frequency, band profile, or relative intensities predicted from the absorption spectra of any known PAH molecule. One source of more information to test the PAH theory is ab initio molecular orbital theory. It can be used to compute, from first principles, the geometries, vibrational frequencies, and vibrational intensities for model PAH compounds which are difficult to study in the lab. The Gaussian 86 computer program was used to determine the effect of ionization on the infrared absorption spectra of several small PAHs: naphthalene and anthracene. A preliminary report is presented of the results of these calculations.

Defrees, Doug J.↗
NASA NTRS2004

The Structure of Young Stellar Systems: Establishing the Initial Conditions for Planet Formation

FYO1-FY03 Origins support to the PI had been as part of an effort involving Profs. Blake, van Dishoeck and L.G. Mundy of the University of Maryland. As outlined below, the merging of BIMA+OVRO into the Combined Array for Research in Millimeter Astronomy (CARMA) and our mutual involvement in the Spitzer Legacy Science program now provides a more natural means of continuing the Caltech/Maryland collaboration. In addition, the spectroscopy/radiative transfer programs led by Profs. Blake, Hogerheijde, and van Dishoeck form a more cohesive basis for a single proposal. Students supported by our previous Origins grant have been involved in making some of the first sub-arcsecond resolution images of the morphology and chemistry of individual YSOs at OVRO and BIMA, in the analysis of IR spectra taken by ISO, and in continuing exploratory IR diffraction-limited imaging and spectroscopy at the Keck and VLT observatories. Notable scientific accomplishments in the past grant period include: 1) detecting high density and temperature hot cores in the dynamically accreting envelopes of low mass protostars that contain significant quantities of complex, prebioitc molecules, 2) imaging chemical and isotopic zonation in the outer regions of T Tauri star accretion disks, particularly fractional ionization and D/H studies, 3) acquiring and modeling the first extensive CO v = 1 approaches 0 spectroscopy survey of the terrestrial planet-forming region of circumstellar accretion disks, and 4) optimizing detailed radiative transfer modeling of the molecular and dust emission from YSO envelopes and from comets, including a new parallelized implementation.

Blake, Geoffrey A.↗
NASA NTRS1990

Infrared spectra and crystal chemistry of scapolites - Implications for Martian mineralogy

Near-IR and mid-IR spectra of 27 scapolites with a wide range of compositions were compared to the features of the 2.35-micron band absorption system that was recently discovered in reflectance spectra of Mars. Results suggest that the 2.36-micron features are due to the presence of small amounts (about 0.5 wt pct each) of HCO3(-) and HSO4(-) in the anion sites of a scapolite. Five of the scapolites (including two meionite and three mizzonite samples) showed absorption features unique to HCO3(-) and HSO4(-). It was determined that the features of the 2.36-micron-centered system are produced by a disordered anion site occupancy and that the band intensity also depends on the HCO3(-)/HSO4(-) ratio. It was found (Clark et al., 1990) that HCO3(-) and HSO4(-) bearing minerals other than scapolites do not exhibit spectral features of the scapolite.

Swayze, Gregg A.↗
NASA NTRS1997

Summary of Research/Publications

Summary of research/publications include:(1) Comment on broadening of water microwave lines by collisions with helium atoms; (2) Calculations of ion-molecule deuterium fractionation reactions involving HD; (3) Ab initio predictions on the rotational spectra of carbon-chain carbene molecules; (4) Theoretical IR spectra of ionized naphthalene; (5) Improved collisional excitation rates for interstellar water; (6) Calculations on the competition between association and reaction for C3H+ + H2; (7) Theoretical infrared spectra of some model polycyclic aromatic hydrocarbons: effect of ionization; (8) Calculations concerning interstellar isomeric abundance ratios for C3H and C3H2; (9) New calculations on the ion-molecule processes C2H2+ + H2 C2H3+ + H and C2H2+ + H2 C2H4+; (10) Anisotropic rigid rotor potential energy function for H2O-H2; (11) A correlated ab initio study of linear carbon-chain radicals CnH (n=2-7); (12) Ab initio characterization of MgCCH, MgCCH+, and MgC2 and pathways to their formation in the interstellar medium; (13) Why HOC+ is detectable in interstellar clouds: The rate of the reaction between HOC+ and H2; (14) A correlated ab initio study of the X 2A 1 and A 2E states of MgCH3; (15) On the stability of interstellar carbon clusters: The rate of the reaction between C3 and O; and (16) The rate of the reaction between CN and C2H2 at interstellar temperatures.

Source record↗
NASA NTRS2000

Spectral Anomalies in the 11 and 12 micron Region From the Mariner Mars 7 Infrared Spectrometer

Two hundred-forty infrared spectra acquired by the 1969 Mariner Mars 7 Infrared Spectrometer (IRS), spanning the wavelength region 1.8-14.4 micron (5550-690/cm), have recently been recovered and calibrated in both wavelength and intensity. An examination of these IRS spectra has revealed absorptions at 11.25 and 12.5 micron that have not previously been reported for Mars. A search of the literature and spectral data bases shows that materials that exhibit a doublet at 11.25 and 12.5 micron are rare. In this paper we examine potential causes for these features and include a detailed discussion of carbonates, goethite, CO2 ice, and water ice. CO2 ice and water ice measured in transmission do not exhibit bands that match those recorded at 11.25 and 12.5 micron for Mars, which indicates that CO2 or water ice clouds are not the source of these features. Since these bands show no clear correlation with atmospheric path length, they are most likely caused by a surface material. In the IRS database they appear to be exceptionally intense in the western part of the Hellas basin. Goethite exhibits bands that are a good spectral match, but confirming whether goethite causes the features will require additional studies of the 20-50 micron region. These studies will require laboratory measurements of weathering coatings and an examination of spectra recorded of Mars by the 1971 Mariner Mars Infrared Interferometer Spectrometer (IRIS; 5-50 micron 2000200/cm) and the 1996 Thermal Emission Spectrometer (TES; 6-50 micron 1667-200/cm).

Kirkland, Laurel E.↗
NASA NTRS1985

Photovoltaics module interface: General purpose primers

The interfacial chemistry established between ethylene vinyl acetate (EVA) and the aluminized back surface of commercial solar cells was observed experimentally. The technique employed is called Fourier Transform Infrared (FTIR) spectroscopy, with the infrared signal being reflected back from the aluminum surface through the EVA film. Reflection infrared (IR) spectra are given and attention is drawn to the specific IR peak at 1080/cm which forms on hydrolytic aging of the EVA/aluminum system. With this fundamental finding, and the workable experimental techniques, candidate silane coupling agents are employed at the interface, and their effects on eliminating or slowing hydrolytic aging of the EVA/aluminum interface are monitored.

Boerio, J.↗
DOE OSTI2022

Unexpected features in the optical vibrational spectra of δ-UO 3

Uranium trioxide displays a complex chemical phase space, with at least six structurally distinct polymorphs accessible via different synthetic routes. Remarkably, despite its technological importance, full structural and electronic characterization of these polymorphs remains an open area of study. δ-UO 3 in particular has attracted significant theoretical attention due to its high point group and space group symmetries, having U (VI) in octahedral coordination with polyhedra interconnected through corner-sharing to build a 3-D cubic lattice with space group symmetry Pm-3m and Z = 1. Critical experimental information, such as its optical vibrational spectra, are not known. Here, we study the Raman and infrared (IR) spectra of δ-UO 3 together with the support of density functional theory (DFT) calculations for spectral interpretation. A symmetry analysis of the DFT-predicted phonon eigenmodes indicates that δ-UO 3 should have two IR active modes and no Raman active modes. Experimental results, however, indicate significant Raman scattering from δ-UO 3 . We therefore propose four potential explanations for this apparent contradiction: a possible tetragonal distortion to the cubic cell, the existence of a surface impurity layer, vacancy scattering, and structural activation of Raman signal. We use powder X-ray diffraction and confocal Raman spectroscopy with depth profiling to investigate these possibilities and suggest future experiments to explore this phenomenon in more detail. Understanding the lattice dynamics of δ-UO 3 is important for identification of technogenic U phases via Raman and infrared spectroscopy and our results indicate that the simple understanding of δ-UO 3 as a high-symmetry cubic structure should be reconsidered.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1990

The 2.5-5.0 micron spectra of Io - Evidence for H2S and H2O frozen in SO2

The present analysis of IR spectra of Io in the 2.5-5.0 micron region with laboratory data on plausible surface ices gives attention to four unidentified features exhibiting spatial and temporal band strength variations; these fall close to the fundamental stretching modes in H2S and H2O, respectively. It is suggested that the 3.85- and 3.91-micron bands in the Io spectra can be accounted for by the absorption of the S-H stretching vibration in H2S clusters and isolated molecules in an SO2-dominated ice. The observations resemble the transmission spectra of SO2 ices that contain about 3 percent H2S and 0.1 percent H2O.

Salama, F.↗
NASA NTRS1979

Infrared spectroscopy of stars

This paper reviews applications of IR techniques in stellar classification, studies of stellar photospheres, elemental and isotopic abundances, and the nature of remnant and ejected matter in near-circumstellar regions. Qualitative IR spectral classification of cool and hot stars is discussed, along with IR spectra of peculiar composite star systems and of obscured stars, and IR characteristics of stellar populations. The use of IR spectroscopy in theoretical modeling of stellar atmospheres is examined, IR indicators of stellar atmospheric composition are described, and contributions of IR spectroscopy to the study of stellar recycling of interstellar matter are summarized. The future of IR astronomy is also considered.

Merrill, K. M.↗
NASA NTRS1988

Observations of Neptune and Uranus below 2000 A with the IUE

The present IUE observations of Neptune, together with improved observations of Uranus below 2000 A, indicate excellent agreement between the UV-derived C2H2 abundance and that obtained from independent IR data for Uranus, while for Neptune, the derived IUE C2H2 abundances differ from IR spectra by orders of magnitude. Attention is accordingly given to aspects of IR modeling requiring modification. The agreement for Uranus may be due to approximately global uniformity, while the disagreement for Neptune may have its basis in such spatial variations as a warm summer pole, as well as in inaccuracies in current model temperature profiles.

Caldwell, John↗