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At least 19 records

Ames-2021 CO 2 Dipole Moment Surface and IR Line Lists: Toward 0.1% Uncertainty for CO 2 IR Intensities

A highly accurate CO 2 ab initio dipole moment surface (DMS), Ames-2021, is reported along with 12 C 16 O 2 infrared (IR) intensity comparisons approaching a 1–4‰ level of agreement and uncertainty. The Ames-2021 DMS was accurately fitted from CCSD(T) finite-field dipoles computed with the aug-cc-pVXZ (X = T, Q, 5) basis for C atom and the d-aug-cc-pVXZ (X = T, Q, 5) basis for O atoms, and extrapolated to the one particle basis set limit. Fitting σ(rms) is 3.8 × 10^(–7) au for 4443 geometries below 15 000 per cm . The corresponding IR intensity, S Ames-2021 , are computed using the Ames-2 potential energy surface (PES), which is the best PES available for CO 2 . Compared to high accuracy IR studies for 2001i–00001 and 3001i–00001 bands, S Ames-2021 matches NIST experiment-based intensities [S NIST-HIT16 or S HIT20 ] to −1.0 ± 1.3‰, or matches DLR experiment-based intensities [S DLR-HIT16/UCL/Ames ] to 1.9 ± 3.7‰. This indicates the systematic deviations and uncertainties have been significantly reduced in S Ames-2021 . The S UCL2015 (or S HITRAN2016 ) have larger deviations (vs S DLR ) and uncertainties (vs S DLR , S NIST ) which are attributed to the less accurate Ames-1 PES adopted in UCL-296 line list calculation. The S Ames-2021 intensity of 12 C 16 O 2 and 13 C 16 O 2 is utilized to derive new absolute 13 C/ 12 C ratios for Vienna PeeDee Belemnite (VPDB) with uncertainty reduced by 1/3 or 2/3. Further evaluation of S Ames-2021 are carried out on those CO 2 bands discussed in the HITRAN2020 update paper. Consistent improvements and better accuracies are found in band-by-band analysis, except for those bands strongly affected by Coriolis couplings, or very weak bands measured with relatively larger experimental uncertainties. The Ames-2021 296 K IR line lists are generated for 13 CO 2 isotopologues, with 18,000 per and S 296K > 1E–31) cm/molecule cutoff and then combined with CDSD line positions (except 14 C 16 O 2 ). The Ames-2021 DMS and 296 K IR line lists represent a major improvement over previous CO 2 theoretical IR intensity studies, including Ames-2016, UCL-296, and recent UCL DMS 2021 update. A real 1 permille level of agreement and uncertainty will definitely require both more accurate PES and more accurate DMS.

Chemical calculations

Optical alignment and testing of the Diffuse IR Background Experiment IR cryogenic telescope

Diffuse Infrared Background Experiment (DIRBE) optical alignment and testing methods are discussed. Using strobe videography, vibration and performance testing of a 32 hz tuning-fork chopper was carried out. The Cosmic Background explorer satellite provides improved microwave and IR all-sky maps of the cosmic background radiation from a polar orbit. A liquid helium cryostat houses the DIRBE and the Far IR Absolute Spectrophotometer (FIRAS) instruments at a temperature of 2 K. Differential MicRowave Radiometers (DMRs) provide large scale maps of anisotropy of the 3 K background at wavelengths of 3.3, 5.7, and 9.6 mm. The DIRBE telescope is an IR photometric instrument with 10 wavelength bands between 1 and 300 microns, designed to measure radiation from the epoch of galaxy formation. Stringent stray light requirements mean that the DIRBE flight instrument has to be built and tested in a class 100 environment.

Wood, H. John

Molecular hydrogen in the vicinity of NGC 7538 IRS 1 and IRS 2 - Temperature and ortho-to-para ratio

Near-infrared spectroscopic observations of the active star-forming region near NGC 7538 IRS 1 and IRS 2 were made. The relative intensities of the v = 1-0 Q(1), Q(3), and Q(5) lines of molecular hydrogen are used to calculate a rotational excitation temperature. Comparison of the measured intensity of the Q(2) transition relative to the intensity of Q(1) and Q(3) permitted the retrieval of the ratio of ortho-to-para hydrogen. It is found that an ortho-to-para ratio of between 1.6 and 2.35 is needed to explain the Q-branch line intensity ratios, depending on the excitation model used. This range in ortho-to-para ratios implies a range of molecular hydrogen formation temperature of approximately 105 K to 140 K.

Hoban, Susan

WaFIRS, a Waveguide Far-IR Spectrometer: Enabling Space-Borne Spectroscopy of High-z Galaxies in the Far-IR and Submm

The discovery of galaxies beyond z approximately equal to 1 which emit the bulk of their luminosity at long wavelengths has demonstrated the need for high sensitivity, broadband spectroscopy in the far-IR/submm/mm bands. Because many of these sources are not detectable in the optical, long wavelength spectroscopy is key to measuring their redshifts and ISM conditions. The continuum source list will increase in the next decade with new ground-based instruments (SCUBA2, Bolocam, MAMBO) and the surveys of HSO and SIRTF. Yet the planned spectroscopic capabilities lag behind, primarily due to the difficulty in scaling existing IR spectrograph designs to longer wavelengths. To overcome these limitations, we are developing WaFIRS, a novel concept for long-wavelength spectroscopy which utilizes a parallel-plate waveguide and a curved diffraction grating. WaFIRS provides the large (approximately 60%) instantaneous bandwidth and high throughput of a conventional grating system, but offers a dramatic reduction in volume and mass. WaFIRS requires no space overheads for extra optical elements beyond the diffraction grating itself, and is two-dimensional because the propagation is confined between two parallel plates. Thus several modules could be stacked to multiplex either spatially or in different frequency bands. The size and mass savings provide opportunities for spectroscopy from space-borne observatories which would be impractical with conventional spectrographs. With background-limited detectors and a cooled 3.5 telescope, the line sensitivity would be better than that of ALMA, with instantaneous broad-band coverage. We have built and tested a WaFIRS prototype for 1-1.6 mm, and are currently constructing Z-Spec, a 100 mK model to be used as a ground-based lambda/DELTAlambda approximately equal to 350 submillimeter galaxy redshift machine.

Bradford, C. M.

IR spectroscopic characteristics of cell cycle and cell death probed by synchrotron radiation based Fourier transform IR spectromicroscopy

Synchrotron radiation based Fourier transform IR (SR-FTIR) spectromicroscopy allows the study of individual living cells with a high signal to noise ratio. Here we report the use of the SR-FTIR technique to investigate changes in IR spectral features from individual human lung fibroblast (IMR-90) cells in vitro at different points in their cell cycle. Clear changes are observed in the spectral regions corresponding to proteins, DNA, and RNA as a cell changes from the G(1)-phase to the S-phase and finally into mitosis. These spectral changes include markers for the changing secondary structure of proteins in the cell, as well as variations in DNA/RNA content and packing as the cell cycle progresses. We also observe spectral features that indicate that occasional cells are undergoing various steps in the process of cell death. The dying or dead cell has a shift in the protein amide I and II bands corresponding to changing protein morphologies, and a significant increase in the intensity of an ester carbonyl C===O peak at 1743 cm(-1) is observed. Copyright John Wiley & Sons, Inc. Biopolymers (Biospectroscopy) 57: 329-335, 2000.

Non-NASA Center

Vegetation assessment using a combination of visible, near-IR, and thermal-IR AVHRR data

Twelve-hour temperature difference (thermal inertia) maps generated by rectifying and registering ascending (day) passes and descending (night) passes of the NOAA-7 Advanced Very High Resolution Radiometer (AVHRR) are compared to vegetation index maps generated from the visible and near IR data from the day pass of that satellite. There appears to be significant and unique information concerning surface characteristics in the temperature difference data on the 1-km scale of the AVHRR. A scatter diagram is provided which shows the pattern of day-night temperature difference compared to vegetation index for irrigated agriculture, dry rangeland, lakes, wet areas and burned rangeland. A detailed description of the techniques employed to provide the day-night temperature maps is provided.

Whitehead, V. S.

Vegetation assessment using a combination of visible, near-IR and thermal-IR AVHRR data

Twelve hour temperature difference (thermal inertia) maps generated by rectifying and registering ascending (day) passes and descending (night) passes of the NOAA-7 Advanced Very High Resolution Radiometer (AVHRR) are compared to vegetation index maps generated from the visible and near IR data from the day pass of that satellite. There appears to be significant and unique information concerning surface characteristics in the temperature difference data on the 1 km scale of the AVHRR. A scatter diagram is provided which shows the pattern of day-night temperature difference compared to vegetation index for irrigated agriculture, dry rangeland, lakes, wet areas and burned rangeland. A detailed description of the techniques employed to provide the day-night temperature maps is provided.

Whitehead, V. S.

Exploiting the IR: Solar and stellar spectroscopy in the IR

Recent instrumental advances have provided the capability to perform high resolution spectroscopy, in the thermal infrared region of the solar spectrum, with high sensitivity. The 8 to 12 micron region was extensively observed using Fourier transform (FTS) and laser heterodyne techniques. The continuous opacity of the solar atmosphere, due to H(-), increases with wavelength in the infrared region longward of 1.6 microns. Consequently thermal infrared observations probe the upper photosphere, and give an insight into the dynamics and structure of this region. The most notable spectral features in the 10 micron window include pure rotation lines of OH, and emission lines due to high-n states in MgI and AlI. The high-n lines due to MgI and AlI are important to solar and stellar physics because of their very large Zeeman sensitivity. The recent development of a cryogenic grating postdispenser for the FTS has allowed low-noise solar observations of these lines in 90 seconds. Limited mapping of the lines in a sunspot penumbra was performed, and gives information of the structure of the penumbral magnetic field. Although the MgI lines were detected in red giant spectra, instrumental sensitivity is not yet sufficient to see them in stars where significant magnetic fields are expected.

Deming, Drake

Detection of the Near-IR Cosmic Infrared Background Using Alternative Models of Near-IR Galactic Emission in the DIRBE Data

The analysis portion of this task has been completed. New models were developed for the removal of the near-infrared emission of Galactic stars in the DIRBE data. Subtraction of these models from the observed emission attempted to achieve a better detection of the Cosmic Infrared Background at near-infrared wavelengths. The new models were found to provide a large improvement in the isotropy of the residual emission, however constraints on the intensity of the emission are not significantly improved. A paper detailing the procedures and results has been drafted, and will be completed next year. The draft of this paper is included as the final report on the contract.

Arendt, Richard G.

Catalyst comprising Ir or Ir and Ru for hydrazine decomposition

A catalyst for hydrazine decomposition consisting essentially of a carrier having a pore volume of at least 0.1 cubic centimeters per gram and a specific surface area, measured in square meters per gram, equal to 195 (C.sub.p + 0.013 + 0.736 V.sub.p) where C.sub.p is the specific heat capacity of the carrier at about 25.degree. C in calories per gram per degree and V.sub.p is the pore volume of the carrier in cubic centimeters per gram and metal of the group consisting of iridium, and mixtures consisting of iridium and ruthenium deposited on said carrier in an amount between 20% and about 40% by weight of the catalyst and distributed through the pores thereof in discrete particles sufficiently separated from each other so that they do not sinter or fuse together when the catalyst is at hydrazine decomposition temperature.

Armstrong, Warren E.

Compact near-IR and mid-IR cavity ring down spectroscopy device

This invention relates to a compact cavity ring down spectrometer for detection and measurement of trace species in a sample gas using a tunable solid-state continuous-wave mid-infrared PPLN OPO laser or a tunable low-power solid-state continuous wave near-infrared diode laser with an algorithm for reducing the periodic noise in the voltage decay signal which subjects the data to cluster analysis or by averaging of the interquartile range of the data.

Miller, J. Houston

Discovery of a compact far-infrared source, IR 12.4+0.5

Results are reported for far-IR, CO, 8-GHz, 15-GHz, H2O, and near-IR observations of a compact far-IR source (designated IR 12.4+0.5) in the M17 molecular cloud, as well as for CO and near-IR observations of a CO peak (designated MC 12.8+0.5) 24 arcmin to the NE of IR 12.4+0.5. The observed far-IR signal from IR 12.4+0.5 is found to correspond to a flux of 2400 Jy at 69 microns for a color temperature of 70 K, and the FWHM size of the source is estimated to be about 36 arcsec. The CO data for both sources and the observed reddening of background giants are shown to indicate high column densities; the existence of internal heat sources is inferred from the measured CO temperatures and the far-IR emission. It is concluded that the two sources are probably sites of very recent or ongoing star formation and that IR 12.4+0.5 is consistent with the 'cocoon star' model of early star formation.

Wright, E. L.

Infrared Camera System for Visualization of IR-Absorbing Gas Leaks

Leak detection and location remain a common problem in NASA and industry, where gas leaks can create hazardous conditions if not quickly detected and corrected. In order to help rectify this problem, this design equips an infrared (IR) camera with the means to make gas leaks of IR-absorbing gases more visible for leak detection and location. By comparing the output of two IR cameras (or two pictures from the same camera under essentially identical conditions and very closely spaced in time) on a pixel-by-pixel basis, one can cancel out all but the desired variations that correspond to the IR absorption of the gas of interest. This can be simply done by absorbing the IR lines that correspond to the gas of interest from the radiation received by one of the cameras by the intervention of a filter that removes the particular wavelength of interest from the "reference" picture. This can be done most sensitively with a gas filter (filled with the gas of interest) placed in front of the IR detector array, or (less sensitively) by use of a suitable line filter in the same location. This arrangement would then be balanced against the unfiltered "measurement" picture, which will have variations from IR absorption from the gas of interest. By suitable processing of the signals from each pixel in the two IR pictures, the user can display only the differences in the signals. Either a difference or a ratio output of the two signals is feasible. From a gas concentration viewpoint, the ratio could be processed to show the column depth of the gas leak. If a variation in the background IR light intensity is present in the field of view, then large changes in the difference signal will occur for the same gas column concentration between the background and the camera. By ratioing the outputs, the same signal ratio is obtained for both high- and low-background signals, even though the low-signal areas may have greater noise content due to their smaller signal strength. Thus, one embodiment would use a ratioed output signal to better represent the gas column concentration. An alternative approach uses a simpler multiplication of the filtered signal to make the filtered signal equal to the unfiltered signal at most locations, followed by a subtraction to remove all but the wavelength-specific absorption in the unfiltered sample. This signal processing can also reveal the net difference signal representing the leaking gas absorption, and allow rapid leak location, but signal intensity would not relate solely to gas absorption, as raw signal intensity would also affect the displayed signal. A second design choice is whether to use one camera with two images closely spaced in time, or two cameras with essentially the same view and time. The figure shows the two-camera version. This choice involves many tradeoffs that are not apparent until some detailed testing is done. In short, the tradeoffs involve the temporal changes in the field picture versus the pixel sensitivity curves and frame alignment differences with two cameras, and which system would lead to the smaller variations from the uncontrolled variables.

Youngquist, Robert

Combined UV and IR Ozone Profile Retrieval from TROPOMI and CrIS Measurements

Vertical ozone profiles from combined spectral measurements in the ultraviolet and infrared spectral range were retrieved by using data from the TROPOspheric Monitoring Instrument on the Sentinel-5 Precursor (TROPOMI/S5P) and the Cross-track Infrared Sounder on the Suomi National Polar-orbiting Partnership (CrIS/Suomi-NPP), which are flying in loose formation 3 min apart in the same orbit. A previous study of ozone profiles retrieved exclusively from TROPOMI UV spectra showed that the vertical resolution in the troposphere is clearly limited (Mettig et al., 2021). The vertical resolution and the vertical extent of the ozone profiles is improved by combining both wavelength ranges compared to retrievals limited to UV or IR spectral data only. The combined retrieval particularly improves the accuracy of the retrieved tropospheric ozone and to a lesser degree stratospheric ozone up to 30 km. An increase in the degrees of freedom (DOF) by 1 DOF was found in the UV + IR retrieval compared to the UV-only retrieval. Compared to previous publications, which investigated combinations of UV and IR observations from the Ozone Monitoring Instrument and Tropospheric Emission Spectrometer (OMI and TES) and Global Ozone Monitoring Experiment version 2 and Infrared Atmospheric Sounding Interferometer (GOME-2 and IASI) pairs, the degree of freedom is lower, which is attributed to the reduced spectral resolution of CrIS compared to TES or IASI. Tropospheric lidar and ozonesondes were used to validate the ozone profiles and tropospheric ozone content (TOC). In their comparison with tropospheric lidars, both ozone profiles and TOCs show smaller biases for the retrieved data from the combined UV + IR observation than from the UV observations alone. For the ozone profiles below 10 km, the mean differences are around ±10 % and the mean TOC varies around ±3 DU. We show that TOCs from the combined retrieval agree better with ozonesonde results at northern latitudes than the UV-only and IR-only retrievals and also have lower scatter. In the tropics, the IR-only retrieval shows the best agrement with TOCs derived from ozonesondes. While in general the TOCs show good agreement with ozonesonde data, the profiles have a positive bias of around 30 % between 10 and 15 km. The reason is probably a positive stratospheric bias from the IR retrieval. The comparison of the UV + IR and UV ozone profiles up to 30 km with the Microwave Limb Sounder (MLS) demonstrates the improvement of the UV + IR profile in the stratosphere above 18 km. In comparison to the UV-only approach the retrieval shows improvements of up to 10 % depending on latitude but can also show worse results in some regions and latitudes.

Ozone

Mineralogy and Thermal Properties of V-Type Asteroid 956 Elisa: Evidence for Diogenitic Material from the Spitzer IRS (5-35 Micrometers) Spectrum

We present the thermal infrared (5-35 micrometer) spectrum of 956 Elisa as measured by the Spitzer Infrared Spectrograph ("IRS"; Houck,1.R. et .11. [20041. Astrophys, 1. SuppL 154, 18-24) together with new ground-based lightcurve data and near-IR spectra. From the visible lightcurve photometry, we determine a rotation period of 16.494 +/- 0.001 h, identify the rotational phase of the Spitzer observations, and estimate the visible absolute magnitude (Hv) at that rotational phase to be 12.58 +/- 0.04. From radiometric analysis of the thermal flux spectrum, we find that at the time of observation 956 Elisa had a projected radius of 5.3 +/- 0.4 km with a visible albedo pv = 0.142+/- 0.022, significantly lower than that of the prototype V-type asteroid, 4 Vesta. (This corresponds to a radius of 5.2 +/- 0.4 km at lightcurve mean.) Analysis with the standard thermal model (STM) results in a sub-solar temperature of 292.3 +/- 2.8 K and beaming parameter eta = 1.16 +/- 0.05. Thermophysical modeling places a lower limit of 20 J m(exp -2)K(exp -1)s(exp -1/2) on the thermal inertia of the asteroid's surface layer (if the surface is very smooth) but more likely values fall between 30 and 150 J m(exp -2)K(exp -1)s(exp -1/2) depending on the sense of rotation. The emissivity spectrum, calculated by dividing the measured thermal flux spectrum by the modeled thermal continuum, exhibits mineralogically interpretable spectral features within the 9-12 micrometer reststrahlen band, the 15-16.5 micrometer Si-O-Si stretching region, and the 16-25 micrometer reststrahlen region that are consistent with pyroxene of diogenitic composition: extant diogenitic pyroxenes fall within the narrow compositional range W0(sub 2+/-1)En(sub 74+/-2)Fs(sub 24+/-1). Spectral deconvolution of the 9-12 micrometer reststrahlen features indicates that up to approximately 20% olivine may also be present, suggesting an olivine-diogenite-like mineralogy. The mid-IR spectrum is inconsistent with non-cumulate eucrite as the major component on the surface of 956 Elisa, although cumulate eucrite material may be present at abundances lower than that of the diogenite component. Analysis of new near-IR spectra of 956 Elisa with the Modified Gaussian Model (MGM; Sunshine, J,M., Pieters, C.M., Pratt, S.F.[1990]. J. Geophys. Res, 95 (May), 6955-6966) results in two pyroxene compositions: 75% magnesian low-Ca pyroxene and 25% high-Ca pyroxene. High-Ca pyroxene is not evident in the mid-IR data, but may belong to a component that is underrepresented in the mid-IR spectrum either because of its spatial distribution on the asteroid or because of its particle size. High-Ca pyroxenes that occur as exsolution lamellae may also be more evident spectrally in the NIR than in the mid-IR. In any case, we find that the mid-IR spectrum of 956 Elisa is dominated by emission from material of diogenite- like composition, which has very rarely been observed among asteroids.

Lim, Lucy F.