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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Laboratory Investigations into the Spectra and Origin of Propylene Oxide: A Chiral Interstellar Molecule

Propylene oxide was recently identified in the interstellar medium, but few laboratory results are available for this molecule to guide current and future investigations. To address this situation, here we report infrared spectra, absorption coefficients, and band strengths of solid propylene oxide along with the first measurement of its refractive index and a calculation of its density, all for the amorphous solid form of the compound. We present the first experimental results showing a low-temperature formation pathway for propylene oxide near 10 K in interstellar ice analogs. Connections are drawn between our new results and the interstellar molecules propanal and acetone, and predictions are made about several as yet unobserved vinyl alcohols and methylketene. Comparisons are given to earlier laboratory work and a few applications to interstellar and solar system astrochemistry are described.

molecular processes↗
NASA NTRS1996

Pyridoxine deficiency affects biomechanical properties of chick tibial bone

The mechanical integrity of bone is dependent on the bone matrix, which is believed to account for the plastic deformation of the tissue, and the mineral, which is believed to account for the elastic deformation. The validity of this model is shown in this study based on analysis of the bones of vitamin B6-deficient and vitamin B6-replete chick bones. In this model, when B6-deficient and control animals are compared, vitamin B6 deficiency has no effect on the mineral content or composition of cortical bone as measured by ash weight (63 +/- 6 vs. 58 +/- 3); mineral to matrix ratio of the FTIR spectra (4.2 +/- 0.6 vs. 4.5 +/- 0.2), line-broadening analyses of the X-ray diffraction 002 peak (beta 002 = 0.50 +/- 0.1 vs. 0.49 +/- 0.01), or other features of the infrared spectra. In contrast, collagen was significantly more extractable from vitamin B6-deficient chick bones (20 +/- 2% of total hydroxyproline extracted vs. 10 +/- 3% p < or = 0.001). The B6-deficient bones also contained an increased amount of the reducible cross-links DHLNL, dehydro-dihydroxylysinonorleucine, (1.03 +/- 0.07 vs. 0.84 +/- 0.13 p < or = 0.001); and a nonsignificant increase in HLNL, dehydro-hydroxylysinonorleucine, (0.51 +/- 0.03 vs. 0.43 +/- 0.03, p < or = 0.10). There were no significant changes in bone length, bone diameter, or area moment of inertia. In four-point bending, no significant changes in elastic modulus, stiffness, offset yield deflection, or fracture deflection were detected. However, fracture load in the B6-deficient animals was decreased from 203 +/- 35 MPa to 151 +/- 23 MPa, p < or = 0.01, and offset yield load was decreased from 165 +/- 9 MPa to 125 +/- 14 MPa, p < or = 0.05. Since earlier histomorphometric studies had demonstrated that the B6-deficient bones were osteopenic, these data suggest that although proper cortical bone mineralization occurred, the alterations of the collagen resulted in changes to bone mechanical performance.

Non-NASA Center↗
NASA NTRS1983

Ab initio infrared and Raman spectra

It is pointed out that with increased computer power and improved computational techniques, such as the gradients developed in recent years, it is becoming practical to compute spectra ab initio, from the fundamental constants of nature, for systems of increasing complexity. The present investigation has the objective to explore several possible ab initio approaches to spectra, giving particular attention to infrared and nonresonance Raman. Two approaches are discussed. The sequential approach, in which first the electronic part and then later the nuclear part of the Born-Oppenheimer approximation is solved, is appropriate for small systems. The simultaneous approach, in which the electronic and nuclear parts are solved at the same time, is more appropriate for many-atom systems. A review of the newer quantum gradient techniques is provided, and the infrared and Raman spectral band contours for the water molecule are computed.

Fredkin, D. R.↗
NASA NTRS1989

Airborne infrared spectroscopy of Comet Wilson (1986l) and comparisons with Comet Halley

H2O and possibly CH4 have been detected in near-infrared spectra of Comet Wilson (1986l). The observed number and relative intensities of cometary H2O lines in the nu3 band at 2.65 microns were consistent with fluorescent excitation pumped by solar infrared photons. The H2O production rate in Comet Wilson was approximately 3 x 10 to the 29th/s at R = 1.2 AU; no pronounced temporal variability was observed. Lines in the nu3 band of CH4 at 3.3 microns were possibly detected at the 3 sigma confidence level. The CH4 abundance is in the range CH4/H2O = 0.014-0.045; the uncertainty is due primarily to the assumed effective excitation temperature of CH4. The CH4 abundance in this dynamically 'new' comet is similar to that observed in P/Halley. These values are low for equilibrium compositional models and very high for disequilibrium condensation in the solar nebula.

Larson, Harold P.↗
NASA NTRS2008

Global Daily Atmospheric State Profiles from the Atmospheric Infrared Sounder

The Atmospheric Infrared Sounder (AIRS) is a hyperspectral infrared instrument on the EOS Aqua Spacecraft, launched on May 4, 2002. AIRS has 2378 infrared channels ranging from 3.7 (micro)m to 15.4 (micro)m and a 13.5 km footprint. AIRS, in conjunction with the Advanced Microwave Sounding Unit (AMSU), produces temperature profiles with 1K/km accuracy on a global scale, as well as water vapor profiles, clouds, dust and trace gas amounts for CO2, CO, SO2, O3 and CH4.[1] AIRS data are used for weather forecasting and studies of global climate change. The AIRS is a 'facility' instrument developed by NASA as an experimental demonstration of advanced technology for remote sensing and the benefits of high resolution infrared spectra to science investigations.

sounder↗
NASA NTRS1989

Frequency and intensity analysis of the nu3, nu4, and nu6 bands of formaldehyde

The infrared spectra of the nu3, nu4, and nu6 bands of formaldehyde in the region from 890/cm to 1580/cm have been obtained at high resolution using tunable diode laser and Fourier transform-infrared spectroscopy. The transition frequencies have been analyzed using a Hamiltonian including terms through sextic in centrifugal distortion and including five interstate vibration-rotation coupling terms. Excited-state pure rotational transitions are also included in the data, and their frequencies are reproduced well. Individual measured line intensities are used to determine dipole derivatives and band strengths using the fully coupled, asymmetric top eigenvectors.

Reuter, D. C.↗
NASA NTRS1992

Observing the surface of Titan through near-infrared windows in its atmosphere

Possibilities of observing the surface of Titan through near infrared windows in the atmosphere are explored. Studies of Titan's near infrared spectrum are discussed with particular attention being given to the opacity of Titan's atmosphere, infrared spectra of candidate materials of Titan's surface, and ground based studies of Titan's surface. Instruments on board Cassini which will have the capability to observe Titan in the near infrared are presented together with what they may observe. These instruments include the descent imager/spectral radiometer, the Huygens probe and the visible infrared mapping spectrometer, and the imaging science subsystem.

Griffith, Caitlin A.↗
NASA NTRS2002

Variations in the Strength of the Infrared Forbidden 2328.2 cm-1 Fundamental of Solid N2 in Binary Mixtures

We present the 2335-2325 cm(exp -1) infrared spectra and band positions, profiles, and strengths (A values) of solid nitrogen and binary mixtures of N2 with other molecules at 12 K. The data demonstrate that the strength of the infrared forbidden N2 fundamental near 2328 cm(exp -1) is moderately enhanced in the presence of NH3, strongly enhanced in the presence of H2O and very strongly enhanced in the presence of CO2, but is not significantly affected by CO, CH4, or O2. The mechanisms for the enhancements in N2-NH3 and N2-H2O mixtures are fundamentally different from those proposed for N2-CO2 mixtures. In the first case, interactions involving hydrogen-bonding are likely the cause. In the latter, a resonant exchange between the N2 stretching fundamental and the O-18=C-12 asymmetric stretch of O-18C-12O-16 is indicated. The implications of these results for several astrophysical issues are briefly discussed.

Bernstein, Max P.↗
NASA NTRS1999

Variations in the strength of the infrared forbidden 2328.2 cm-1 fundamental of solid N2 in binary mixtures

We present the 2335-2325 cm-1 infrared spectra and band positions, profiles and strengths (A values) of solid nitrogen and binary mixtures of N2 with other molecules at 12 K. The data demonstrate that the strength of the infrared forbidden N2 fundamental near 2328 cm-1 is moderately enhanced in the presence of NH3, strongly enhanced in the presence of H2O and very strongly enhanced (by over a factor of 1000) in the presence of CO2, but is not significantly affected by CO, CH4, or O2. The mechanisms for the enhancements in N2-NH3 and N2-H2O mixtures are fundamentally different from those proposed for N2-CO2 mixtures. In the first case, interactions involving hydrogen-bonding are likely the cause. In the latter, a resonant exchange between the N2 stretching fundamental and the 18O = 12C asymmetric stretch of 18O12C16O is indicated. The implications of these results for several astrophysical issues are briefly discussed.

NASA Discipline Exobiology↗
NASA NTRS2015

Asteroid (90) Antiope: Another Icy Member of the Themis Family?

Many members of the Themis family show evidence of hydration in the form of oxidized iron in phyllosilicates (Florczak, M. et al. [1999]. Astron. Astrophys. Suppl. Ser. 134, 463–471), and OH-bearing minerals (Takir, D., Emery, J.P. [2012]. Icarus 219, 641–654). The largest member, (24) Themis, has H2O ice covering its surface (Campins, H. et al. [2010]. Nature 464, 1320–1321; Rivkin, A.S., Emery, J.P. [2010]. Nature 464, 1322–1323). We have investigated the second largest Themis-family asteroid, (90) Antiope, which Castillo-Rogez and Schmidt (Castillo-Rogez, J.C., Schmidt, B.E. [2010]. Geophys. Res. Lett. 37, L10202) predict to have a composition that includes water ice and organics. We obtained 2–4-lm spectroscopy of (90) Antiope in 2006 and 2008, and we find an absorption in the 3-lm region clearly present in our 2008 spectrum and likely in our 2006 spectrum. Both spectra have rounded, bowl-shaped absorptions consistent with those ascribed to water ice as in the spectrum of Asteroid (24) Themis. We also present and compare Spitzer 8–12-lm mid-infrared spectra of (24) Themis and (90) Antiope. We find that (90) Antiope is lacking a ‘‘fairy castle’’ dusty surface, which is in contrast to (24) Themis, other Themis family members (Licandro, J. et al. [2012]. Astron. Astrophys. 537, A73), and Jupiter Trojans (e.g. Emery, J.P., Cruikshank, D.P., Van Cleve, J. [2006]. Icarus 182, 496–512). We conclude that the surface structure of (90) Antiope is most similar to Cybele Asteroid (121) Hermione (Hargrove, K.D. et al. [2012]. Icarus 221, 453–455).

Asteroids↗
DOE OSTI2020

Modeling thin layers of analytes on substrates for spectral analysis: use of solid/liquid n and k values to model reflectance spectra

Since solids are only sometimes seen en masse in a pure bulk form, and for liquids other than water almost never, a capability to model reflectance spectra from analytes deposited on various substrates would be highly advantageous. If available, the real, n ( ν ) , and imaginary, k ( ν ) , components of the complex refractive index, n n + i k , can be used to simulate infrared spectra, accounting for reflection, refraction, and absorption phenomena as a function of wavelength. We focus on using the Pacific Northwest National Laboratory (PNNL) derived n / k vectors for solid and liquid analytes deposited as thin layers on different types of substrates including conductors, such as aluminum, and inorganic dielectrics, such as glass. The model is an adaptation of the Monte Carlo ray trace modeling program, TracePro, extended through the use of its macrolanguage. The model is tested using thin films of organic liquids including silicone oil and no. 2 diesel fuel, as well as organic solids such as caffeine and acetaminophen on aluminum and glass. The predicted spectra for the solid films were compared to experimental hemispherical reflectance data measured using a Fourier transform spectrometer with an integrating sphere. The thickness of the calculated layer is a parameter for predicting the (transflectance) spectra and is obtained using the areal density measured from gravimetric methods to generate the thin-layer samples. Comparison of the calculated spectra with experimental hemispherical reflectance data shows excellent agreement, indicating promise for the use of measured n / k data to synthesize reference spectral data. In particular, accounting for the inhomogeneity of the deposits greatly improved the match with experimental data. Finally, the theoretical modeling shows that for thicker layers (ca. 20 to 100 μm) of typical organics possessing moderately strong k values, the longwave infrared features are often saturated and better spectral contrast is obtained from the overtone/combination bands in the shortwave infrared.

42 ENGINEERING↗
NASA NTRS1992

An atlas of selected calibrated stellar spectra

Five hundred and fifty six stars in the IRAS PSC-2 that are suitable for stellar radiometric standards and are brighter than 1 Jy at 25 microns were identified. In addition, 123 stars that meet all of our criteria for calibration standards, but which lack a luminosity class were identified. An approach to absolute stellar calibration of broadband infrared filters based upon new models of Vega and Sirius due to Kurucz (1992) is presented. A general technique used to assemble continuous wide-band calibrated infrared spectra is described and an absolutely calibrated 1-35 micron spectrum of alpha(Tau) is constructed and the method using new and carefully designed observations is independently validated. The absolute calibration of the IRAS Low Resolution Spectrometer (LRS) database is investigated by comparing the observed spectrum of alpha(Tau) with that assumed in the original LRS calibration scheme. Neglect of the SiO fundamental band in alpha(Tau) has led to the presence of a specious 'emission' feature in all LRS spectra near 8.5 microns, and to an incorrect spectral slope between 8 and 12 microns. Finally, some of the properties of asteroids that effect their utility as calibration objects for the middle and far infrared region are examined. A technique to determine, from IRAS multiwaveband observations, the basic physical parameters needed by various asteroid thermal models that minimize the number of assumptions required is developed.

Walker, Russell G.↗
NASA NTRS2002

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Compounds and their Ions: Polycyclic Aromatic Nitrogen Heterocycles - 6

The matrix-isolation technique has been employed to measure the mid-infrared spectra of several polycyclic aromatic nitrogen heterocycles in both neutral and cationic forms. The species studied include: 7,8 benzoquinoline (C13H9N); 2-azapyrene (C15H9N); 1- and 2-azabenz(a)anthracene (C17H11N); and 1-, 2-, and 4-azachrysene (also C17H11N). The experimentally measured band frequencies and intensities for each molecule are tabulated and compared with their theoretically calculated values computed using density functional theory at the B3LYP/4-31G level. The overall agreement between experiment and theory is quite good, in keeping with previous investigations involving the parent aromatic hydrocarbons. Several interesting spectroscopic trends are found to accompany nitrogen substitution into the aromatic framework of these compounds. First, for the neutral species, the nitrogen atom produces a significant increase in the total integrated infrared intensity across the 1600 - 1100/cm region and plays an essential role in the molecular vibration that underlies an uncharacteristically intense, discrete feature that is observed near 1400/cm in the spectra of 7,8 benzoquinoline, 1-azabenz(a)anthracene, and 4-azachrysene. The origin of this enhanced infrared activity and the nature of the new 1400/cm vibrational mode are explored. Finally, in contrast to the parent hydrocarbon species, these aromatic nitrogen heterocycles possess a significant permanent dipole moment. Consequently, these dipole moments and the rotational constants are reported for these species in their neutral and ionized forms.

Mattioda, A. L.↗
NASA NTRS1975

The peculiar object HD 44179 /'The red rectangle'/

A strong infrared source detected in the AFCRL sky survey is confirmed, and is identified with the binary star HD 44179, embedded in a peculiar nebula. UBVRI and broad-band photometry between 2.2 and 27 microns are combined with blue, red, and near-infrared spectra, polarimetry and spectrophotometry of the star, and a range of direct and image-tube photographs of the nebula, to suggest a composite model of the system. In this model, the infrared radiation derives from thermal emission by dust grains contained in a disklike geometry about the central object, which appears to be of spectral type B9-A0 III and which may be in pre-main-sequence evolution. Two infrared emission features are found, peaking at 8.7 and 11.3 microns, the latter corresponding to the feature seen in the spectrum of the planetary nebula NGC 7027. The complex nebular structure is discussed on the basis of photographs through narrow-band continuum and emission-line filters. The polarization data support the suggestion of a disk containing some large particles. No radio continuum emission is detected.

Cohen, M.↗
NASA NTRS1988

Cometary dust size distributions from flyby spacecraft

Pior to the Halley flybys in 1986, the distribution of cometary dust grains with particle size were approximated using models which provided reasonable fits to the dynamics of dust tails, anti-tails, and infrared spectra. These distributions have since been improved using fluence data (i.e., particle fluxes integrated over time along the flyby trajectory) from three spacecraft. The fluence derived distributions are appropriate for comparison with simultaneous infrared photometry (from Earth) because they sample the particles in the same way as the IR data do (along the line of sight) and because they are directly proportional to the concentration distribution in that region of the coma which dominates the IR emission.

Divine, Neil↗
NASA NTRS2002

Multi-color interferometric observations of Mira stars

Interferometric observations in the atmospheric windows of the near infrared (1 to 4 microns) can be efficiently used to probe the chemical composition of Miras atmosphere and provide direct measurements of extended gas layers around these stars. This is illustrated by recent Miras observations carried out with the FLUOR instrument of the IOTA interferometer (Mennesson et al. 2002, and Perrin et al. proceedings of this conference) and with the PTI test-bed (Thompson 2002, Thompson et al. 2002). These visibility measurements show evidence for continuum emission from very extended ( 2-3 stellar radii) semi-transparent gaseous atmospheric layers, and large apparent diameter changes with pulsation phase. Interestingly these observations are consistent with the extended molecular gas layers (H20, CO ...) already inferred around some of these objects from IS0 and high resolution ground-based FTS infrared spectra.

Miras atmosphere infrared interferometry↗
NASA NTRS1980

Infrared measurements of a scramjet exhaust

Diagnostic 2 - 5 mm infrared spectra of a hydrogen burning scramjet exhaust were measured with an interferometer spectrometer. Exhaust gas temperatures and water vapor partial pressures were determined from the observed intensity and spectral profile of the H2O 2.7 mm infrared emission band. Overall engine combustion efficiencies were derived by combining these measurements with the known engine operating conditions. Efficiencies fall (70 - 50 percent) as fuel equivalence ratios rise (0.4 - 1.0). Data analysis techniques and sensitivity studies are also presented.

Reed, R. A.↗
NASA NTRS1981

Infrared and radio observations of W51: Another Orion-KL at a distance of 7kpc

The bright infrared sources W51-IRS2 has at least three components with different physical and evolutionary properties. The spatial distribution and the near infrared spectra of the components in IRS2 are remarkably similar to, but more luminous than those found in Orion, where an H2 region of comparable linear size is also located close to a cluster of compact infrared sources. The characteristics of the nearby W51-NORTH H2O maser source, and the detection of 2 micro m H2 quadrupole emission in IRS2 indicate that the mass loss phenomena found in Orion-KL also exist in W51.

Genzel, R.↗