Spectrocopy of Chlorosyl Flouride, FCLO
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Spectroscopy FCIO↗
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Remote sensing by infrared heterodyne spectroscopy
The use of infrared heterodyne spectrocopy for the study of planetary atmospheres is discussed. Infrared heterodyne spectroscopy provides a convenient and sensitive method for measuring the true intensity profiles of atmospheric spectral lines. Application of radiative transfer theory to measured lineshapes can then permit the study of molecular abundances, temperatures, total pressures, excitation conditions, and dynamics of the regions of line formation. The theory of formation of atmospheric spectral lines and the retrieval of the information contained in these molecular lines is illustrated. Notable successes of such retrievals from infrared heterodyne measurements on Venus, Mars, Jupiter and the Earth are given. A discussion of developments in infrared heterodyne technology is also presented.
Kostiuk, T.↗
Optical and interfacial electronic properties of diamond-like carbon films
Hard, semitransparent carbon films were prepared on oriented polished crystal wafers of silicon, indium phosphide and gallium arsenide, as well as on KBr and quartz. Properties of the films were determined using IR and visible absorption spectrocopy, ellipsometry, conductance-capacitance spectroscopy and alpha particle-proton recoil spectroscopy. Preparation techniques include RF plasma decomposition of methane (and other hydrocarbons), ion beam sputtering, and dual-ion-beam sputter deposition. Optical energy band gaps as large as 2.7 eV and extinction coefficients lower than 0.1 at long wavelengths are found. Electronic state densities at the interface with silicon as low as 10 to the 10th states/eV sq cm per were found.
Woollam, J. A.↗
Infrared Micro-Spectroscopy of Organic and Hydrous Components in Some Antarctic Micrometeorites
Micrometeorites extracted from Antarctic ice are a major source of extraterrestrial materials available for study in the laboratory. Materials in this size range are important because the peak in the mass flux distribution of extraterrestrial particles accreted by the Earth occurs for particles approximately 200 microns in diameter with a mass accretion rate estimated at approximately 40 x 10(exp 6) kilograms per year. It has been suggested that micrometeorites may have contributed much pre-biotic organic matter to the early Earth, but the types and abundances of organic material in micrometeorites are poorly known. We have conducted infrared (IR) micro-spectrocopy of small micrometeorites (about 100 microns in size) in order to characterize organic matter that is present in the particles. The obtained results were compared with IR signatures of representative carbonaceous chondrites.
Suzuki, A.↗
The Potassium-Argon Laser Experiment (KarLE): In Situ Geochronology for Mars and Beyond
The search for life in the solar system depends upon discovering the right moments in planetary evolution: when habitable environments existed, when they declined, and when geologic processes operated to preserve traces of life after death. However, an incomplete knowledge of absolute Martian geochronology limits our ability to understand the timing of Martian evolutionary milestones, major climate changes, and stratigraphic epochs [1, 2]. Absolute dating relates these habitability markers to planetarywide geologic, atmospheric, and climate history places, and ties their occurrence to the history of the solar system, especially the Earth-Moon system and the timescale of evolution of life on Earth. KArLE is being developed to anchor the relative timeline of geological events to an absolute chronology that puts Mars into a wider solar system context. KArLE makes its measurements on rock samples that can be obtained by landers or rovers and inserted into a small, mechanically simple chamber. KArLE interrogates the samples using laser-induced breakdown spectrocopy (LIBS), mass spectrometry, and optical imaging. The KArLE experiment is flexible enough to accommodate any partner providing these instrument components, a creative approach that extends the ability of mission payloads to accomplish an additional highly-desirable science measurement for low cost and risk and minimal extra hardware.
Cohen, Barbara A.↗
Syntheses and Crystal Structures of Rare-Earth Oxyapatites Ca 2 RE 8 (SiO 4 ) 6 O 2 (RE = Pr, Tb, Ho, Tm)
Four different rare-earth oxyapatites of Ca 2 RE 8 (SiO 4 ) 6 O 2 (RE = Pr, Tb, Ho, Tm) were synthesized using a solution-based method followed by drying, calcination, and high-temperature sintering in air. X-ray powder diffraction and Raman spectroscopy were performed on the synthesized oxyapatites. Here, the RE oxyapatites crystallize in the hexagonal space group P6 3 /m with similar unit cell parameters, increasing linearly with larger RE cations. The unit cell volumes increase linearly whereas the densities decrease nonlinearly with larger RE cations. Raman spectra showed intense bands of the symmetric bending and stretching modes of SiO 4 at ~ 400 and 860 cm -1 regions, respectively. The bands generally shifted to higher frequencies with smaller RE cations in the structures.
36 MATERIALS SCIENCE↗
Expanding the Transuranic Metal–Organic Framework Portfolio: The Optical Properties of Americium(III) MOF-76
Reported here is the synthesis, crystal structure, and solid-state characterization of a new americium containing metal–organic framework (MOF), [Am(C 9 H 3 O 6 )(H 2 O)], MOF-76(Am). This material is constructed from Am 3+ metal centers and 1,3,5-tricarboxylic acid (BTC) ligands, forming a porous three-dimensional framework that is isostructural with several known trivalent lanthanide (Ln) analogs (e.g., Ce, Nd, and Sm–Lu). The Am 3+ ions have seven coordinates and assume a distorted, capped trigonal prismatic geometry with C1 symmetry. The Am 3+ –O bonds were studied via infrared spectroscopy and compared to several MOF-76(Ln) analogs, where Ln = Nd 3+ , Eu 3+ , Tb 3+ , and Ho 3+ . The results show that the strength of the ligand carboxylate stretching and bending modes increase with Nd 3+ < Eu 3+ < Am 3+ < Tb 3+ < Ho 3+ , suggesting the metal–oxygen bonds are predominantly ionic. Optical absorbance spectroscopy measurements reveal strong f–f transitions; some exhibit pronounced crystal field splitting. The photoluminescence spectrum contains weak Am 3+ -based emission that is achieved through direct and indirect metal center excitation. The weak emissive behavior is somewhat surprising given that ligand-to-metal resonance energy transfer is efficient in the isoelectronic Eu 3+ (4f 6 ) and related Tb 3+ (4f 8 ) analogs. The optical properties were explored further within a series of heterometallic MOF-76(Tb 1–x Am x ) (x = 0.8, 0.2, and 0.1) samples, and the results reveal enhanced Am 3+ photoluminescence.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Exploiting Chemistry and Molecular Systems for Quantum Information Science
The power of chemistry to prepare new compositions of matter has driven the quest for new approaches to solve problems having global societal impact, such as renewable energy, healthcare, and information science. In the latter case, the intrinsic quantum nature of molecules offers intriguing new possibilities to advance the emerging field of Quantum Information Science (QIS). In this Perspective, we discuss how chemical systems and reactions can impact quantum computing, communication, and sensing. Hierarchical molecular design and synthesis, from small molecules to supramolecular assemblies, combined with new spectroscopic probes of quantum coherence and theoretical modeling of complex systems, offer a broad range of possibilities to realize practical QIS applications.
quantum computing, Spectrocopy, computational chem↗
Microstructural Effects of PETN on Detonator Performance
The strategic motivation of the project is guided by the Need to understand: material characteristics important to performance; how to most appropriately measure/monitor these characteristics; and, evolution of these characteristics through lifetime and storage conditions.
36 MATERIALS SCIENCE↗
Near-Infrared Spectroscopy can Predict Anatomical Abundance in Corn Stover
Feedstock heterogeneity is a key challenge impacting the deconstruction and conversion of herbaceous lignocellulosic biomass to biobased fuels, chemicals, and materials. Upstream processing to homogenize biomass feedstock streams into their anatomical components via air classification allows for a more tailored approach to subsequent mechanical and chemical processing. Here, we show that differing corn stover anatomical tissues respond differently to pretreatment and enzymatic hydrolysis and therefore, a one-size-fits-all approach to chemical processing biomass is inappropriate. To inform on-line downstream processing, a robust and high-throughput analytical technique is needed to quantitatively characterize the separated biomass. Predictive correlation of near-infrared spectra to biomass chemical composition is such a technique. Here, we demonstrate the capability of models developed using an “off-the-shelf,” industrially relevant spectrometer with limited spectral range to make strong predictions of both cell wall chemical composition and the relative abundance of anatomical components of the corn stover, the latter for the first time ever. Gaussian process regression (GPR) yields stronger correlations (average R 2 v = 88% for chemical composition and 95% for anatomical relative abundance) than the more commonly used partial least squares (PLS) regression (average R 2 v = 84% for chemical composition and 92% for anatomical relative abundance). In nearly all cases, both GPR and PLS outperform models generated using neural networks. These results highlight the potential for coupling NIRS with predictive models based on GPR due to the potential to yield more robust correlations.
09 BIOMASS FUELS↗
BD+44°493: Chemo-dynamical Analysis and Constraints on Companion Planetary Masses from WIYN/NEID Spectroscopy
In this work, we present high-resolution (R ~ 100,000), high signal-to-noise ratio (S/N ~ 800) spectroscopic observations for the well-known, bright, extremely metal-poor, carbon-enhanced star BD+44°493. We determined chemical abundances and upper limits for 17 elements from WIYN/NEID data, complemented with 11 abundances redetermined from Subaru and Hubble data, using the new, more accurate, stellar atmospheric parameters calculated in this work. Our analysis suggests that BD+44°493 is a low-mass (0.83 M ⊙ ), old (12.1–13.2 Gyr) second-generation star likely formed from a gas cloud enriched by a single metal-free 20.5 M ⊙ Population III star in the early Universe. With a disk-like orbit, BD+44°493 does not appear to be associated with any major merger event in the early history of the Milky Way. From the precision radial-velocity NEID measurements (median absolute deviation = 16 m s –1 ), we were able to constrain companion planetary masses around BD+44°493 and rule out the presence of planets as small as $m\sin i=2$ M J out to periods of 100 days. This study opens a new avenue of exploration for the intersection between stellar archaeology and exoplanet science using NEID.
79 ASTRONOMY AND ASTROPHYSICS↗
Single Object & Time Series Spectroscopy with JWST NIRCam
JWST will enable high signal-to-noise spectroscopic observations of the atmospheres of transiting planets with high sensitivity at wavelengths that are inaccessible with HST or other existing facilities. We plan to exploit this by measuring abundances, chemical compositions, cloud properties, and temperature-pressure parameters of a set of mostly warm (T 600 - 1200 K) and low mass (14 -200 Earth mass) planets in our guaranteed time program. These planets are expected to have significant molecular absorptions of H2O, CH4, CO2, CO, and other molecules that are key for determining these parameters and illuminating how and where the planets formed. We describe how we will use the NIRCam grisms to observe slitless transmission and emission spectra of these planets over 2.4 - 5.0 microns wavelength and how well these observations can measure our desired parameters. This will include how we set integration times, exposure parameters, and obtain simultaneous shorter wavelength images to track telescope pointing and stellar variability. We will illustrate this with specific examples showing model spectra, simulated observations, expected information retrieval results, completed Astronomer's Proposal Tools observing templates, target visibility, and other considerations.
NIRCam↗
Design of multi-bandwidth frequency selective surfaces for near infrared filtering
Frequency selective surfaces are widely used in the microwave and millimeter wave regions of the spectrum for filtering signals. They are used in telecommunication systems for multi-frequency operation or in instrument detectors for spectroscopy.
frequency↗