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At least 343 records · Page 19

Preparation, Identification, and Low-Temperature Infrared Spectra of Two Elusive Crystalline Nitrile Ices

Infrared (IR) spectra of the alkyl nitrile ices CH3CN and CH3CH2CN are relevant to the study of the low- temperature chemistry of objects within and beyond the Solar System, but the thermodynamically favored low-temperature crystalline phases of these compounds have not been presented and identified in the planetary- sciences literature. Moreover, there is a large variation in the published IR spectra of these two icy solids, including spectra that are used for the analyses of spacecraft data from the Voyager and Cassini missions. Here the IR spectra of the low-temperature crystalline forms of CH3CN and CH3CH2CN, which are the thermodynamically stable phases at Titan temperatures, are presented for the first time with all samples being made by vapor-phase deposition. Conditions are described for producing these ice phases for both compounds, and new measurements are reported of ice density and refractive index, quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, nitrile abundances in extraterrestrial environments. Comparisons are drawn between CH3CN and CH3CH2CN, an earlier prediction on their similar crystallization behaviors is verified, and previous work is examined in light of these new results, including a counterintuitive observation in which the low-temperature phase of an ice is made by heating a high-temperature phase. Applications and extensions are described.

Hudson, Reggie L.↗

Preparation, Identification, and Low-Temperature Infrared Spectra of Two Elusive Crystalline Nitrile Ices

Infrared (IR) spectra of the alkyl nitrile ices CH3CN and CH3CH2CN are relevant to the study of the low-temperature chemistry of objects within and beyond the Solar System, but the thermodynamically favored low-temperature crystalline phases of these compounds have not been presented and identified in the planetary-sciences literature. Moreover, there is a large variation in the published IR spectra of these two icy solids, including spectra that are used for the analyses of spacecraft data from the Voyager and Cassini missions. Here the IR spectra of the low-temperature crystalline forms of CH3CN and CH3CH2CN, which are the thermodynamically stable phases at Titan temperatures, are presented for the first time with all samples being made by vapor-phase deposition. Conditions are described for producing these ice phases for both compounds, and new measurements are reported of ice density and refractive index, quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, nitrile abundances in extraterrestrial environments. Comparisons are drawn between CH3CN and CH3CH2CN, an earlier prediction on their similar crystallization behaviors is verified, and previous work is examined in light of these new results, including a counter-intuitive observation in which the low-temperature phase of an ice is made by heating a high-temperature phase. Applications and extensions are described.

Reggie L Hudson↗

Preparation, Identification, and Low-Temperature Infrared Spectra of Two Elusive Crystalline Nitrile Ices

Infrared (IR) spectra of the alkyl nitrile ices CH3CN and CH3CH2CN are relevant to the study of the low- temperature chemistry of objects within and beyond the Solar System, but the thermodynamically favored low-temperature crystalline phases of these compounds have not been presented and identified in the planetary- sciences literature. Moreover, there is a large variation in the published IR spectra of these two icy solids, including spectra that are used for the analyses of spacecraft data from the Voyager and Cassini missions. Here the IR spectra of the low-temperature crystalline forms of CH3CN and CH3CH2CN, which are the thermody-namically stable phases at Titan temperatures, are presented for the first time with all samples being made by vapor-phase deposition. Conditions are described for producing these ice phases for both compounds, and new measurements are reported of ice density and refractive index, quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, nitrile abundances in extraterrestrial environments. Comparisons are drawn between CH3CN and CH3CH2CN, an earlier prediction on their similar crystallization behaviors is verified, and previous work is examined in light of these new results, including a counter- intuitive observation in which the low-temperature phase of an ice is made by heating a high-temperature phase. Applications and extensions are described.

Hudson, Reggie L.↗

Preparation, Identification, and Low-Temperature Infrared Spectra of Two Elusive Crystalline Nitrile Ices

Infrared (IR) spectra of the alkyl nitrile ices CH3CN and CH3CH2CN are relevant to the study of the low-temperature chemistry of objects within and beyond the Solar System, but the thermodynamically favored low-temperature crystalline phases of these compounds have not been presented and identified in the planetary-sciences literature. Moreover, there is a large variation in the published IR spectra of these two icy solids, including spectra that are used for the analyses of spacecraft data from the Voyager and Cassini missions. Here the IR spectra of the low-temperature crystalline forms of CH3CN and CH3CH2CN, which are the thermodynamically stable phases at Titan temperatures, are presented for the first time with all samples being made by vapor-phase deposition. Conditions are described for producing these ice phases for both compounds, and new measurements are reported of ice density and refractive index, quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, nitrile abundances in extraterrestrial environments. Comparisons are drawn between CH3CN and CH3CH2CN, an earlier prediction on their similar crystallization behaviors is verified, and previous work is examined in light of these new results, including a counter-intuitive observation in which the low-temperature phase of an ice is made by heating a high-temperature phase. Applications and extensions are described.

Ices, IR spectroscopy, Titan, organic chemistry, i↗

Decomposition of Electron Ionization Mass Spectra for Space Application Using a Monte-Carlo approach

Rationale: Quadrupole mass spectrometers equipped with an electron ionization (EI) sources have been widely used in space exploration to investigate the composition of planetary surfaces and atmospheres. However, the complexity of the samples and the minimal calibration for the fragmentation of molecules in the ionization chambers have prevented the deconvolution of the majority of the mass spectra obtained at different targets, thus limiting the determination of the exact composition of the samples analyzed. We propose a Monte‐Carlo approach to solve this issue mathematically. Methods: We decomposed simulated mass spectra of mixtures acquired with unit resolving power mass spectrometers and EI sources into the sum of the single components fragmentation patterns weighted by their relative concentration using interior‐point least‐square fitting. To fit compounds with poorly known fragmentation patterns, we used a Monte‐Carlo method to vary the intensity of individual fragment ions. We then decomposed the spectrum thousands of times to obtain a statistical distribution. Results: By performing the deconvolution on a mixture of seven different molecules with interfering fragmentation patterns (H2O, O2, CH4, Ar, N2, C2H4, and C2H6) we show that this approach retrieves the mixing ratio of the individual components more accurately than regular mass spectra decomposition methods that rely on fragmentation patterns from general databases. It also provides the probability density function for each species's mixing ratio. Conclusions: By removing the solution degeneracy in the decomposition of mass spectra, the method described herein could significantly increase the scientific retrieval from archived space flight mass spectrometry data, where calibration of the ionization source is no longer an option.

Thomas Gautier↗

Mass Spectra Deconvolution of Gaseous Mixtures Containing Volatile Organic Compounds

The Spacecraft Atmosphere Monitor (S.A.M.) analyzes all gaseous pollutants in the 1-150Th mass-to-charge range based on their positive-ion mass spectra. Of particular interest is the Trace Gas Analysis (TGA) mode of operation in which S.A.M detects minute amounts of volatile organic compounds (VOC). Pollutant component of the ambient air is sampled on demand in twenty full mass spectra per second. All spectra is accumulated in two-second intervals by an on-board Field Programmable Gate Arrays (FPGA) unit. Mass spectra represents the number of detected fragment ions in a given mass-to-charge ratio channel. Electron impact ionization of neutral molecules results in creation of numerous fragment ions and most of organic compounds will contribute several identical fragments. Despite the presence of these molecular isobars, we developed the deconvolution algorithm capable of identifying target species based on their characteristic fragmentation patterns. We investigate the efficiency of deconvolution algorithm as a function of mass resolution with which mass spectrum is acquired. Higher the mass resolution, better the chances are to distinguish between stereoisomers using their fragmentation propensities, but also results in higher data volumes to be processed by a set of small footprint software stacks hosted by an on-board computer. Finding the balance between deconvolution accuracy and generated data volume under time constrains and limited computing resources is the main topic of this study.

Darrach, M.↗

Ultraviolet/Visible Reflectance Spectra of Returned Samples of (162173) Ryugu Unexposed to Earth’s Atmosphere

Following the successful return of JAXA’s Hayabusa2 sample capsule, the material from asteroid (162173) Ryugu retrieved from the spacecraft retrieval container has been the subject of multi-pronged analyses [e.g., 1]. We undertook an effort to acquire reflectance spectra covering 200- to- 1100 nm of particles from Ryugu. This region probes the near-ultraviolet (NUV) to acquire reflectance spectra that cover the 250-nm Fresnel peak that can result from increased graphitization (reduced H content) of carbon-bearing materials. Laboratory tests show that increased graphitization could result from the effects of increased temperature, an effect of space weathering of materials closer to the Sun. Some ground-based reflectance spectra and space-based photometry of Ryugu show that reflectance is increasing with decreasing wavelength, suggesting the beginning of a UV upturn [2]. We sought evidence for space weathering (graphitization) of the Ryugu material at NUV wavelengths, by acquiring reflectance spectra of surface samples.

F Vilas↗

Leaf-level chlorophyll fluorescence and reflectance spectra of high latitude plants

Little is known about the chlorophyll fluorescence spectra for high latitude plants. A FluoWat leaf clip was used to measure leaf-level reflectance and chlorophyll fluorescence spectra of leaves of common high latitude plants to examine general spectral characteristics of these species. Fluorescence yield (Fyield) was calculated as the ratio of the emitted fluorescence divided by the absorbed radiation for the wavelengths from 400 nm up to the wavelength of the cut-off for the FluoWat low pass filter (either 650 or 700 nm). The Fyield spectra grouped into distinctly different patterns among different plant functional types. Black spruce (Picea mariana) Fyield spectra had little red fluorescence, which was reabsorbed in the shoot, but displayed a distinct far-red peak. Quaking aspen (Populus tremuloides) had both high red and far-red Fyield peaks, as did sweet coltsfoot (Petasites frigidus). Cotton grass (Eriophorum spp.) had both red and far-red Fyield peaks, but these peaks were much lower than for aspen or coltsfoot. Sphagnum moss (Sphagnum spp.) had a distinct Fyield red peak but low far-red fluorescence. Reindeer moss lichen (Cladonia rangiferina) had very low fluorescence levels, although when damp displayed a small red Fyield peak. These high latitude vegetation samples showed wide variations in Fyield spectral shapes. The Fyield values for the individual red or far-red peaks were poorly correlated to chlorophyll content, however the ratio of far-red to red Fyield showed a strong correlation with chlorophyll content. The spectral variability of these plants may provide information for remote sensing of vegetation type but may also confound attempts to measure high latitude vegetation biophysical characteristics and function using solar induced fluorescence (SIF).

K Fred Huemmrich↗

Photometric Correction of Hayabusa2's NIRS3 Spectra of Asteroid 162173 Ryugu Using Empirical Photometric Models

In 2018, Japanese Aerospace Exploration Agency’s spacecraft Hayabusa2 began a near infrared spectroscopic imaging survey of near-Earth asteroid 162173 Ryugu. Hayabusa2 is a successful sample-return mission with an overarching goal to provide a better understanding of the origin and evolution of our solar system. The target, Ryugu, is a low-albedo carbonaceous asteroid (Cb-type) that is linked to carbonaceous chondrite meteorites. It is thought to have originated in the main asteroid belt and migrated inward to become a near-Earth asteroid, and therefore reachable by spacecraft. Preliminary findings from processed NIRS3data have shown that hydroxyl-bearing minerals are present on the surface of Ryugu, and it is likely the result of impact fragments from an aqueously altered parent body.In this project, we have used newly calibrated and processed NIRS3 data using updated shape models of Ryugu. NIRS3 spectra have both a thermal and reflectance component. The thermal component (beyond 2.5 microns) was modeled and removed from all NIRS3 spectra. Ryugu spectra were taken at different viewing geometries, and a photometric model needed to be developed to normalize all of the spectra at a common geometry for each mission phase. We have used three empirical models: Minnaert, Lommel-Seeliger, and ROLO (RObotic LunarOrbiter). These models were chosen for their ability to relate the surface reflectance to the viewing geometry, as well as their compatibility with the asteroid’s albedo range. The three models provide the global light scattering properties of Ryugu’s surface and subsequently enable us to calculate the geometric albedo, phase integral, spherical bond albedo, and the average surface normal albedo for Ryugu.

Lucille Grace Williamson↗

On the Weak-Wind Problem in Massive Stars: X-Ray Spectra Reveal a Massive Hot Wind in mu Columbae

Mu Columbae is a prototypical weak-wind O star for which we have obtained a high-resolution X-ray spectrum with the Chandra LETG/ACIS instrument and a low-resolution spectrum with Suzaku. This allows us, for the first time, to investigate the role of X-rays on the wind structure in a bona fide weak-wind system and to determine whether there actually is a massive hot wind. The X-ray emission measure indicates that the outflow is an order of magnitude greater than that derived from UV lines and is commensurate with the nominal wind-luminosity relationship for O stars. Therefore, the "weak-wind problem"--identified from cool wind UV/optical spectra--is largely resolved by accounting for the hot wind seen in X-rays. From X-ray line profiles, Doppler shifts, and relative strengths, we find that this weak-wind star is typical of other late O dwarfs. The X-ray spectra do not suggest a magnetically confined plasma-the spectrum is soft and lines are broadened; Suzaku spectra confirm the lack of emission above 2 keV. Nor do the relative line shifts and widths suggest any wind decoupling by ions. The He-like triplets indicate that the bulk of the X-ray emission is formed rather close to the star, within five stellar radii. Our results challenge the idea that some OB stars are "weak-wind" stars that deviate from the standard wind-luminosity relationship. The wind is not weak, but it is hot and its bulk is only detectable in X-rays.

Weak-wind↗

X-ray Reflected Spectra from Accretion Disk Models. III. A Complete Grid of Ionized Reflection Calculations

We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code xillver that incorporates new routines and a richer atomic data base. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Gamma of the illuminating radiation, the ionization parameter zeta at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A(sub Fe) relative to the solar value. The ranges of the parameters covered are: 1.2 <= Gamma <= 3.4, 1 <= zeta <= 104, and 0.5 <= A(sub Fe) <= 10. These ranges capture the physical conditions typically inferred from observations of active galactic nuclei, and also stellar-mass black holes in the hard state. This library is intended for use when the thermal disk flux is faint compared to the incident power-law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file suitable for the analysis of X-ray observations via the atable model in xspec. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of xillver.

X-ray↗

An integral test of the inelastic cross sections of Pb and Mo using measured neutron spectra

Comparison of measurements and calculations of fast neutron spectra from a radioactive neutron source inside spheres of Mo or Pb and from a cylindrical reactor containing a thick Pb or Mo reflector are used as a test of ENDF cross sections. The sphere leakage spectra were measured at a sphere-to-spectrometer distance of 2 meters using a 54 Ci spherical Am-Be neutron source. Reactor leakage spectrum measurements were made at the surface of the ZP-1 reactor when bare, with a Pb radial reflector 21 cm thick, and with a metallic Mo radial reflector 10 cm thick. In the case of the thin Mo sphere there is agreement between the calculation and measurement. The Pb calculation is much lower than the measurement except at the highest neutron energy. Two-dimensional calculations of reactor spectra result indicate that the reactor source is reasonably well known. Significant differences in leakage spectrum shape for both Mo and Pb reflectors suggest that there are large uncertainties in the inelastic cross sections for Pb and some for Mo.

Shook, D. F.↗

Optical spectra of compact objects.

On the basis of their optical spectra, compact objects are divided into three classes: (1) nonthermal objects including Seyfert nuclei, most N-type radio galaxies, and luminous Zwicky objects; (2) hot massive stars, and (3) stellar objects including some compact galaxies having only absorption line spectra. A variety of morphological forms exist among class (1) and (2) objects. Emission line spectra of quasars are reviewed and related to the physical conditions in the emitting regions.

Burbidge, E. M.↗

First spectra of chlorine, bromine, and iodine in the 1.8- to 4.0-micron region.

Use of liquid-nitrogen-cooled lead sulfide detectors to extend observations of the first spectra of the halogens in the infrared region as far as 4.0 microns. Descriptions, comprising wavelengths, wave numbers, intensities, and classifications, are presented that serve to close the gap between the upper wavelength limit of the detailed published analyses of these spectra at about 2.5 microns and the groups of recently classified lines near 4 microns, and also to report newly observed lines in the 1.8- to 2.5-micron region made accessible by detectors of improved response characteristics. Listed wavelengths of observed and identified lines are calculated from established values of the energy levels. The descriptions should facilitate the identification of halogen lines in mixed spectra excited in electrodeless tubes containing halogen compounds.

Humphreys, C. J.↗

N2 positive and N2/+/ band systems and the energy spectra of auroral electrons.

Use of the relative emission rates of the auroral N2 positive and N2(+) band systems to limit the permissible range of differential electron fluxes in auroras, due to remarkable differences in electron excitation functions for the two kinds of systems. Use of recently measured electron cross sections and many observational data from ground based and rocket studies shows that the results are consistent with spectra equivalent to a power law E to the minus 1.4 power for primaries and secondaries combined. The unified primary spectra of Rees (1969) and secondary spectra of Rees et al. (1969) fail seriously to predict the optical ratios. It is shown that Rees' primary spectrum is deficient in slow primaries, owing to the use of defective Monte Carlo results of Maeda (1965). Doubt is thereby cast on the validity of experimental results for the differential spectrum below 50 eV reported by Feldman et al. (1971) because of the rapid decrease in flux with energy shown by those measurements.

Shemansky, D. E.↗

Crystal field spectra of lunar pyroxenes.

Absorption spectra in the visible and near infrared regions have been obtained for pyroxene single crystals in rocks from the Apollo 11, 12, 14, and 15 missions. The polarized spectra are compared with those obtained from terrestrial calcic clinopyroxenes, subcalcic augites, pigeonites, and orthopyroxenes. The lunar pyroxenes contain several broad, intense absorption bands in the near infrared, the positions of which are related to bulk composition, Fe(2+) site occupancy and structure type of the pyroxene. The visible spectra contain several sharp, weak peaks mainly due to spin-forbidden transitions in Fe(2+). Additional weak bands in this region in Apollo 11 pyroxenes are attributed to Ti(3+) ions. Spectral features from Fe(3+), Mn(2+), Cr(3+), and Cr(2+) were not observed.

Burns, R. G.↗

Enhancement of spectra by digital convolution.

A method is presented for convolving digitally scanned spectra by means of computerized filtering. This method is an effective tool for improving the quality of noisy spectra and for deconvolving high-quality spectra by removing instrument signature.

Lorre, J. J.↗

Reflection spectra of solids of planetary interest

The spectra of solids are reproduced which might be found on the surfaces of planetary bodies or as solid condensates in the upper planetary atmosphere. Among these are spectra of various iron compounds of interest in the study of the clouds of Venus. Other spectra are included of various sulfides, some at low temperature, relevant to the planet Jupiter. Meteorite and coal abstracts are also included, to illustrate dark carbon compounds.

Sill, G. T.↗