Optical and infrared spectroscopy
Lattice vibrations and optical and infrared spectroscopy investigation
INFRARED SPECTROSCOPY↗
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Results for “emission spectroscopy”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Toward a More Complete Optical Census of Active Galactic Nuclei via Spatially Resolved Spectroscopy
While emission line flux ratio diagnostics are the most common technique for identifying active galactic nuclei (AGNs) in optical spectra, applying this approach to single-fiber spectra of galaxies can omit entire subpopulations of AGNs. Here, we use spatially resolved spectroscopy from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey to construct a sample of 10 galaxies where Baldwin–Philips–Terlevich line flux ratio diagnostics classify each galaxy’s central 3" spectrum as LINER or star-forming, while >10% of the spaxels in the galaxy’s MaNGA footprint are classified as Seyfert. We obtain Chandra observations of these 10 galaxies with off-nuclear Seyfert regions to determine whether AGNs are actually present in them. Our main result is that 7–10 (depending on strictness of criteria) of the galaxies host one or more X-ray AGNs, even though none of them were classified as AGNs based on their single-fiber optical spectra. We find that these AGNs were not identified in the single-fiber spectra because they are AGNs in the nuclei of companion galaxies, low-luminosity AGNs, dust-obscured AGNs, and/or flickering AGNs. In summary, we find that off-nuclear AGN signatures may increase the number of known AGNs by a factor of two over what conventional single nuclear fiber spectra identify. Our results show that spatially resolved spectroscopy can be leveraged to reveal a more complete census of AGNs that are traditionally missed by single-fiber spectra.
79 ASTRONOMY AND ASTROPHYSICS↗
Advanced X-ray emission spectrometers
Spectroscopy systems require a crystal having specific properties for analyzing a spectrum of a sample, which is typically performed for measuring the presence of one element at a time. A two-dimensional (2D) crystal mount for performing simultaneous spectroscopy measurements includes a crystal holder having multiple rows of crystal mounts. Each crystal mount is positioned and orientated to physically support a crystal at a fixed position and fixed orientation relative to an optical axis. A sample provides radiation to analyzer crystals disposed in the crystal mounts, and a detector may detect radiation reflected from the analyzer crystals, for performing multiple simultaneous spectroscopy measurements.
Sun, Chengjun↗
Spatially-Resolved HST GRISM Spectroscopy of a Lensed Emission Line Galaxy at Z to approximately 1
We take advantage of gravitational lensing amplification by Abell 1689 (z=0.187) to undertake the first space-based census of emission line galaxies (ELGs) in the field of a massive lensing cluster. Forty-three ELGs are identified to a flux of i(sub 775)=27.3 via slitless grism spectroscopy. One ELG (at z=0.7895) is very bright owing to lensing magnification by a factor of approx = 4.5. Several Balmer emission lines detected from ground-based follow-up spectroscopy signal the onset of a major starburst for this low-mass galaxy (M(sub star) approx = 2 x 10(exp 9)Solar Mass) with a high specific star formation rate (approx = 20/ Gyr). From the blue emission lines we measure a gas-phase oxygen abundance consistent with solar (12+log(O /H)=8.8 +/- O.2). We break the continuous line-emitting region of this giant arc into seven approx 1 kpc bins (intrinsic size) and measure a variety of metallicity dependent line ratios. A weak trend of increasing metal fraction is seen toward the dynamical center of the galaxy. Interestingly, the metal line ratios in a region offset from the center by -lkpc have a placement on the blue HI! region excitation diagram with f([OIII]/ f(H-Beta) and f([NeIII/ f(H-Beta) that can be fit by an AGN. This asymmetrical AGN-like behavior is interpreted as a product of shocks in the direction of the galaxy's extended tail, possibly instigated by a recent galaxy interaction.
Frye, Brenda L.↗
Pursuing Heteroleptic Ligand Design Principles for Photoactive Fe Complexes with Ultrafast X-ray Emission and Variable-Temperature Optical Spectroscopies
Understanding the key parameters that govern the photophysical and photochemical properties of transition metal complexes is essential for the development of efficient photosensitizers for photocatalytic applications. Achieving this objective necessitates clear and detailed investigations of their electronic excited states, for which time-resolved metal Kβ X-ray emission spectroscopy (XES) has proven highly effective. Here, we present a time-resolved Fe Kβ XES study of a heteroleptic Fe(II) polypyridyl carbene complex, [Fe(phen) 2 (C 4 H 10 N 4 )] 2+ (1; phen = 1,10-phenanthroline), utilizing both the valence-to-core and Kβ mainline spectral regions, complemented by variable-temperature transient optical absorption (VT-TA) spectroscopy. Detailed analysis of the time-resolved Kβ XES data, supported by density functional theory (DFT) calculations and an Eyring analysis of the VT-TA data, reveals parallel excited state relaxation dynamics that support an assignment of the long-lived excited state to a triplet metal-centered state. Placing these results in the context of prior studies of heteroleptic Fe(II) polypyridyl cyanide complexes motivated a series of DFT calculations to investigate the effects of ligand structural flexibility and arrangement. These calculations reinforce the experimentally derived conclusion that constraining structural flexibility with multidentate ligands significantly impacts the excited state relaxation dynamics. Furthermore, our study emphasizes that the arrangement of strong field ligands in heteroleptic complexes substantially affects the energy of Jahn–Teller active triplet metal-centered states in low-spin d 6 metal complexes. Together, these findings provide synthetic design principles for extending metal-to-ligand charge transfer excited state lifetimes of heteroleptic Fe complexes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Unreported Emission Lines of Rb, Ce, La, Sr, Y, Zr, Pb and Se Detected Using Laser-Induced Breakdown Spectroscopy
Information on emission lines for major and minor elements is readily available from the National Institute of Standards and Technology (NIST) as part of the Atomic Spectra Database. However, tabulated emission lines are scarce for some minor elements and the wavelength ranges presented on the NIST database are limited to those included in existing studies. Previous work concerning minor element calibration curves measured using laser-induced break-down spectroscopy found evidence of Zn emission lines that were not documented on the NIST database. In this study, rock powders were doped with Rb, Ce, La, Sr, Y, Zr, Pb and Se in concentrations ranging from 10 percent to 10 parts per million. The difference between normalized spectra collected on samples containing 10 percent dopant and those containing only 10 parts per million were used to identify all emission lines that can be detected using LIBS (Laser-Induced Breakdown Spectroscopy) in a ChemCam-like configuration at the Mount Holyoke College LIBS facility. These emission spectra provide evidence of many previously undocumented emission lines for the elements measured here.
LIBS↗
Tantalum oxide and nitride spectral features from a laser-produced plasma
Here, we report measurements of time-resolved Ta, TaO and TaN emission spectroscopic signatures from a laser-produced plasma. Plasmas were generated using 1064 nm, 6 ns pulses from an Nd:YAG laser focused onto a pure Ta metal target in a gaseous environment with varying percentages of O 2 /N 2 for controlling gas-phase oxidation/plasma chemistry. Time-resolved analysis showed that Ta oxide emission is prominent at later times in plasma evolution, whereas strong atomic emission is present at early times in air. Emission spectral features as a function of O 2 partial pressure showed that TaO emission intensity increases, while the peak intensity of TaO appears earlier with increasing O 2 availability. We also report emission spectra of TaN, and show that plasma chemistry favors TaO formation instead of TaN when O 2 is present in the environment.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Simultaneous measurement of minor stratospheric constituents with emission far-infrared spectroscopy
The vertical mixing ratio profiles of H2O, HDO, O3, heavy ozone, HF, HCl, HCN, and OH in the stratosphere are retrieved from high-resolution far-infrared emission spectra. These spectra were obtained with a balloon-borne Fourier transform spectrometer in the spring of 1979 at 32 deg N. The nonlinear least squares fit method is used in the analysis. The results are obtained relative to the O2 mixing ratio, whose emission features can be found in the same spectra. The retrieval of OH together with other species should be particularly significant for the study of upper stratospheric photochemistry, although the errors are relatively large: 28 percent for OH and 16-19 percent for other species.
Carli, Bruno↗
The design of a photoionization front experiment using the Z-Machine as a driving source and estimated measurements
Radiation-driven heat fronts are present in the early universe during reionization, the circumstellar medium of supernovae, and in high-energy-density physics experiments. Dedicated experiments to observe and diagnose the behavior of these types of heat fronts can improve our understanding of these phenomena. A simulation study of photoionization fronts using the HELIOS-CR radiation hydrodynamics code provides an experimental design for the Z-Machine at Sandia National Laboratory using a measurement-calibrated input radiation flux to drive the photoionization front. The simulations use detailed atomic physics and non-diffusive radiation transport in 1D to determine an optimal gas pressure of 0.75 atm for an experiment in N gas as well as the effects of increasing the thickness of the window that seals the gas cell. Post-processing of these simulations demonstrates that ratios of atomic rate coefficients place the heat front in a physics regime where photoionization dominates the energy deposition. Here, to see the sensitivity of the simulations to changes in the model and spatial grid, this analysis performed resolution, atomic model detail, and radiation transport angular grid studies showing less than 10% deviation from the nominal model for increased complexity, when possible. An effort to emulate 3D geometric effects on the radiation flux using an artificial attenuation scheme has shown that, even for conservative estimates of the flux, simulations still produce a photoionization front. Estimations of a streaked, visible spectroscopy measurement using SPECT3D showed that line emission measurements are present early in time and that later in time thermal emission should become dominant.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Foil backlighter development at the OMEGA laser facility for extended x-ray absorption fine structure experiments
Extended x-ray absorption fine structure (EXAFS) measurements require a bright and continuous x-ray source and a detection system with high spectral resolution to capture the modulations of the absorption coefficient above the material absorption edge. When performing EXAFS measurements under laser-driven dynamic compression, it is hence critical to optimize the backlighter x-ray emission. In this study, a series of experiments has been conducted at the OMEGA laser facility to characterize titanium (Z = 22), iron (Z = 26), germanium (Z = 32), molybdenum (Z = 42), silver (Z = 47), and gold (Z = 79) foil backlighters irradiated with 3 kJ–12 kJ of laser energy. The spectra have been recorded using a dual crystal spectrometer (DCS), a two-channel transmission spectrometer covering 11 keV–45 keV and 19 keV–90 keV energy bands. The DCS has been calibrated so that the spectral intensities can be compared between different campaigns.
47 OTHER INSTRUMENTATION↗
Comparing plasma conditions in short-pulse-heated foils via fine-structure x-ray emission
Fine-structure x-ray spectra have been measured from foils with embedded tracer layers at two laser facilities. In this work, a suite of layered foils with thin Ti tracers under varied tamper layers was studied at both the Titan and the ALEPH 400 nm laser facilities, where Ti Heα emission was recorded using a high-resolution Bragg crystal spectrometer. Several indicators of plasma parameters are examined in the spectra, including temperature- and density-dependent line ratios and line broadening from Stark and opacity effects. Spectra indicate that (1) the plasma density at ALEPH is significantly higher than at Titan and (2) the electron temperature is high for near-surface layers at both facilities but drops more quickly with depth at ALEPH. These inferences of plasma conditions are consistent with differing levels of temporal contrast at each laser facility.
47 OTHER INSTRUMENTATION↗
In-situ relative calibration of Bragg crystals with Monte Carlo line ratio analysis
X-ray line emission spectra can thoroughly characterize hot plasmas, especially when line shapes and ratios convey distinct aspects of plasma conditions. However, the high spectral resolution required for observing line shapes is often at odds with the large bandwidth required to observe many line ratios across a wide spectral range. One strategy to obtain high spectral resolution over a wide bandwidth is to use multiple crystals with calibrated reflectivity so that line intensities across different crystals can be compared. Here, we explore the use of a low-resolution, wide-bandwidth mica survey spectrometer to infer relative reflectivity of two high-resolution, narrow-bandwidth quartz crystals. Finally, a Monte Carlo error analysis determines comparable x-ray line ratios measured from both spectrometers, resulting in an in situ calibration factor and associated uncertainty for the relative reflectivity of the high-resolution crystals.
47 OTHER INSTRUMENTATION↗
Impact of n -Butylammonium Bromide on the Chemical and Electronic Structure of Double-Cation Perovskite Thin Films
2D/3D perovskite heterostructures have emerged as a promising material composition to reduce nonradiative recombination in perovskite-based LEDs and solar cells. Such heterostructures can be created by a surface treatment with large organic cations, for example, n-butylammonium bromide (BABr). To understand the impact of the BABr surface treatment on the double-cation (Cs 0.17 FA 0.83 Pb(I 0.6 Br 0.4 ) 3 ) (FA = formamidinium) perovskite thin film and further optimize the corresponding structures, an in-depth understanding of the chemical and electronic properties of the involved surfaces, interfaces, and bulk is required. We study the impact of the BABr treatment with a combination of surface-sensitive X-ray photoelectron spectroscopy and bulk-sensitive resonant inelastic soft X-ray scattering (RIXS). A quantitative analysis of the BABr-treated perovskite thin film shows a modified chemical perovskite surface environment of carbon, nitrogen, bromine, iodine, and lead, indicating that the treatment leads to a perovskite surface with a modified composition and bonding structure. With K-edge RIXS, the local environment at the nitrogen and carbon atoms is probed, allowing us to identify the presence of BABr in the perovskite bulk albeit with a modified bonding environment. This, in turn, identifies a "hidden parameter" for the optimization of the BABr treatment and overall performance of 2D/3D perovskite solar cell absorbers.
2D/3D perovskite heterostructure↗
Watching a signaling protein function: What has been learned over four decades of time-resolved studies of photoactive yellow protein
Photoactive yellow protein (PYP) is a signaling protein whose internal p-coumaric acid chromophore undergoes reversible, light-induced trans-to-cis isomerization, which triggers a sequence of structural changes that ultimately lead to a signaling state. Since its discovery nearly 40 years ago, PYP has attracted much interest and has become one of the most extensively studied proteins found in nature. The method of time-resolved crystallography, pioneered by Keith Moffat, has successfully characterized intermediates in the PYP photocycle at near atomic resolution over 12 decades of time down to the sub-picosecond time scale, allowing one to stitch together a movie and literally watch a protein as it functions. But how close to reality is this movie? To address this question, results from numerous complementary time-resolved techniques including x-ray crystallography, x-ray scattering, and spectroscopy are discussed. Emerging from spectroscopic studies is a general consensus that three time constants are required to model the excited state relaxation, with a highly strained ground-state cis intermediate formed in less than 2.4 ps. Persistent strain drives the sequence of structural transitions that ultimately produce the signaling state. Crystal packing forces produce a restoring force that slows somewhat the rates of interconversion between the intermediates. Moreover, the solvent composition surrounding PYP can influence the number and structures of intermediates as well as the rates at which they interconvert. When chloride is present, the PYP photocycle in a crystal closely tracks that in solution, which suggests the epic movie of the PYP photocycle is indeed based in reality.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Unoccupied electronic structure of actinide dioxides
Ligand field density functional theory calculations of the dioxides of thorium, uranium, and plutonium have been combined with high-energy-resolution fluorescence detection (HERFD) in x-ray absorption spectroscopy and inverse photoelectron spectroscopy (IPES) measurements to provide powerful insight into the underlying composition of the unoccupied 5f electronic structure in these 5f localized systems. Fine structure in the 5f 5/2 transitions in HERFD can be directly correlated with the fine structure in the leading edge of the IPES. The shapes, intensities, and systematics in HERFD and IPES are explained in a consistent and rigorous fashion in terms of the j-specific 5f electronic structure.
36 MATERIALS SCIENCE↗
Time-resolved investigation of subnanosecond radiation from Al wire hybrid X pinches
K-shell x-ray spectra from Al wire hybrid X pinches have been studied using an x-ray streak camera with better than 0.1-ns time resolution together with a Focusing Spectrograph with Spatial Resolution (FSSR) spectrograph. High-intensity radiation with a continuumlike spectrum was observed in the subnanosecond initial phase of the x-ray pulse generated by the hybrid X pinch (HXP). Here, the absence of spectral lines in this phase and the extremely small x-ray source size indicates the importance of radiative processes in the final phase implosion dynamics. Plasma parameters in the following phases of the HXP were determined from analysis of the line intensities. Point-projection radiography together with a slit-step wedge camera and an FSSR spectrograph without time resolution were used to show the number of radiation sources, and to give information on the time-integrated photon energy spectrum.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Demonstration of Geometric Effects and Resonant Scattering in the X-Ray Spectra of High-Energy-Density Plasmas
In a plasma of sufficient size and density, photons emitted within the system have a probability of being reabsorbed and reemitted multiple times—a phenomenon known in astrophysics as resonant scattering. This effect alters the ratio of optically thick to optically thin lines, depending on the plasma geometry and viewing angle, and has significant implications for the spectra observed in a number of astrophysical scenarios, but has not previously been studied in a controlled laboratory plasma. In this work, we demonstrate the effect in the x-ray spectra emitted by cylindrical plasmas generated by high power laser irradiation, and the results confirm the geometrical interpretation of resonant scattering.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Laser-Plasma Spatiotemporal Cyanide Spectroscopy and Applications
This article reports new measurements of laser-induced plasma hypersonic expansion measurements of diatomic molecular cyanide (CN). Focused, high-peak-power 1064 nm Q-switched radiation of the order of 1 TW/cm 2 generated optical breakdown plasma in a cell containing a 1:1 molar gas mixture of N 2 and CO 2 at a fixed pressure of 1.1 × 10 5 Pascal and in a 100 mL/min flow of the mixture. Line-of-sight (LOS) analysis of recorded molecular spectra indicated the outgoing shockwave at expansion speeds well in excess of Mach 5. Spectra of atomic carbon confirmed increased electron density near the shockwave, and, equally, molecular CN spectra revealed higher excitation temperature near the shockwave. Results were consistent with corresponding high-speed shadowgraphs obtained by visualization with an effective shutter speed of 5 nanoseconds. In addition, LOS analysis and the application of integral inversion techniques allow inferences about the spatiotemporal plasma distribution.
36 MATERIALS SCIENCE↗