The effect of the vibration-rotation interaction on the Franck-Condon factors for the band system of the RbH molecule.
Vibration-rotation interaction effect on Franck- Condon factors for band system of RbH molecule
VIBRATIONAL SPECTRUM↗
SEARCH · Engineering Papers
Results for “molecular spectrum”
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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Electron beam diagnostics.
Spectroscopic electron beam diagnostic technique, examining negligible effect elevated vibrational temperatures have on measured rotational temperatures of molecular nitrogen
ELECTRON BEAM↗
Measurement of some molecular vibrational- rotational parameters with an infrared heterodyning technique.
Molecular vibrational rotational parameters measured with IR heterodyning technique
MOLECULAR OSCILLATION↗
Rocket observation of interstellar molecular hydrogen
Interstellar molecular H Lyman resonance-absorption bands in far UV spectrum using rocket observation
Carruthers, G. R.↗
The physical basis for absorption of light
The effects of light absorption on the wave functions of gas-phase molecules and atoms are investigated by high resolution spectral measurements of radiation emerging from a sample. A Stark-modulated sample of methyl fluoride was irradiated at the 102 GHz rotational transition and the emergent radiation was resolved by means of a spectrum analyzer. For signal oscillator frequencies below or above the molecular resonance by one modulation frequency, the amplitudes of the upper and lower modulation sidebands are found to be of nonuniform intensity, which is inconsistent with amplitude modulation. Emission due to polarization is, however, calculated to be consistent with the results observed, indicating that light absorption should be considered as a subtractive stimulated emission.
Pickett, H. M.↗
Chemical and biological evolution in space
The formation of organic molecules in interstellar dust grains and the survival of bacterial spores in a space environment are examined, summarizing the results of experimental investigations and theoretical calculations. The interstellar medium is characterized; the production of organic yellow-stuff residues on the mantles of dust grains in molecular clouds by UV radiation is explained; an IR absorption spectrum toward a Galactic-center source is shown to confirm the presence of such residues; and the mass of such abiotically produced complex organic molecules in the Galaxy is estimated as at least 10 to the 7th solar mass, or 0.1 percent of the mass in the Galaxy. This finding is considered significant for the prebiotic chemistry of the earth, since comets containing large amounts of interstellar dust may have impacted the earth many times during comet showers in the early solar system. UV-irradiation experiments on bacterial spores show that initial exposures to solar UV, not interstellar survival, is the main factor rendering theries of panspermia questionable.
Greenberg, J. M.↗
Balloon-based interferometric techniques
A balloon-borne triple-etalon Fabry-Perot Interferometer, observing the Doppler shifts of absorption lines caused by molecular oxygen and water vapor in the far red/near infrared spectrum of backscattered sunlight, has been used to evaluate a passive spaceborne remote sensing technique for measuring winds in the troposphere and stratosphere. There have been two successful high altitude balloon flights of the prototype UCL instrument from the National Scientific Balloon Facility at Palestine, TE (May 80, Oct. 83). The results from these flights have demonstrated that an interferometer with adequate resolution, stability and sensitivity can be built. The wind data are of comparable quality to those obtained from operational techniques (balloon and rocket sonde, cloud-top drift analysis, and from the gradient wind analysis of satellite radiance measurements). However, the interferometric data can provide a regular global grid, over a height range from 5 to 50 km in regions of clear air. Between the middle troposphere (5 km) and the upper stratosphere (40 to 50 km), an optimized instrument can make wind measurements over the daylit hemisphere with an accuracy of about 3 to 5 m/sec (2 sigma). It is possible to obtain full height profiles between altitudes of 5 and 50 km, with 4 km height resolution, and a spatial resolution of about 200 km, along the orbit track. Below an altitude of about 10 km, Fraunhofer lines of solar origin are possible targets of the Doppler wind analysis. Above an altitude of 50 km, the weakness of the backscattered solar spectrum (decreasing air density) is coupled with the low absorption crosssection of all atmospheric species in the spectral region up to 800 nm (where imaging photon detectors can be used), causing the along-the-track resolution (or error) to increase beyond values useful for operational purposes. Within the region of optimum performance (5 to 50 km), however, the technique is a valuable potential complement to existing wind measuring systems and can provide a low cost addition to powerful active (LIDAR) wind measuring systems now under development.
Rees, David↗
Solid carbon monoxide in the Serpens dark cloud
The 4.67 micrometer absorption feature of solid CO is an important signature of grain mantles in molecular clouds. This paper presents new observations of solid CO absorption in the spectra of four infrared sources in and behind the Serpens dark cloud. We also present supplementary 2.0-2.5 micrometer spectra which clarify the nature of selected sources. Solid CO profiles are compared with models based on laboratory data. In common with previous studies of other clouds, we find that the observed profiles are consistent with the presence of two distinct phases of CO-bearing ice, one dominated either by CO itself or by CO mixed with absorption relative to that of the water-ice feature at 3.1 micrometers is unusually high in Serpens: we deduce column densities for CO and H2O in solid form and conclude that the mean CO abundance in dust is 40% of the H2O abundance, compared with values in the range 0%-30% typical of other molecular clouds. On the basis of its 2.0-2.5 micrometer spectrum and near-infrared colors, we deduce the infrared source CK 2 to be a K5-M0 III field star situated behind the Serpens cloud and suffering 40-50 mag of visual extinction. Assuming empirical correlations between extinction and total (gas + dust) CO column density, we estimate the CO depletion (i.e., the fraction of interstellar CO in the line of sight tied up in grains) to be approximately 40% in the intracloud medium of the Serpens cloud, comparable with previous estimates for the Taurus dark cloud, and much higher than that found in the environments of protostellar objects.
Chiar, J. E.↗
A Characterization Of Alcohol Fuel Vapor For Wavelength Modulation Spectroscopy Applied To Microgravity Flame Spread
A diode laser diagnostic is being developed for use in an ongoing investigation of flame spread in microgravity at NASA Glenn Research Center. Flame spread rates through non-homogenous gas mixtures are significantly different in a microgravity environment because of buoyancy and possibly hydrostatic pressure effects. These effects contribute to the fuel vapor concentration ahead of the flame being altered so that flame spread is more rapid in microgravity. This paper describes spectral transmission measurements made through mixtures of alcohol, water vapor, and nitrogen in a gas cell that was designed and built to allow measurements at temperatures up to 500 C. The alcohols considered are methanol, ethanol, and n-propanol. The basic technique of wavelength modulation spectroscopy for gas species measurements in microgravity was developed by Silver et al. For this technique to be applicable, one must carefully choose the spectral features over which the diode laser is modulated to provide good sensitivity and minimize interference from other molecular lines such as those in water. Because the methanol spectrum was not known with sufficient resolution in the wavelength region of interest, our first task was to perform high-resolution transmission measurements with an FTIR spectrometer for methanol vapor in nitrogen, followed recently by ethanol and n-propanol. A computer program was written to generate synthesized data to mimic that expected from the experiment using the laser diode, and results from that simulation are also presented.
Kulis, Michael J.↗
Science Questions for the Post-SIRTF and Herschel Era
The contents include the following: 1. SIRTF. Long wavelength surveys planned for SIRTF. Galaxy Discovery Rates for Future Missions. Impact of SIRTF s Improved Resolution at 160um: Resolving the Background. 2. Polarimetry. Submillimeter Polarimetry - The State of Play. Magnetic Vectors Across the Orion Molecular Cloud Core. Neutral and Ionized Molecular Spectral Lines. Variation of Polarization With Wavelength. The Polarization Spectrum. Submillimeter Polarimetry - Looking Ahead. 3.Confusion. Confusion at 500, 600 micron. 4. Extragalactic Science. Do Massive Black Holes and Galaxy Bulges form Together? 5. Galactic Science. Can We See the First Generations of Stars and Metal Formation? The Birth of Planets and the Origins of Life. Spatial Resolution at 100 microns. Far-ir/Sub-mm Transitions of Linear Carbon Clusters. Predicted Spectra of Glycine.
Werner, Michael↗
Determining Chlamydomonas reinhardtii resistance to ionizing radiation at a genome-wide scale
Spaceflight is a complex mixture of abiotic stresses that causes a myriad of cellular responses including increased genome-wide mutation load. The impact of spaceflight on mutation load is not well understood for most organisms and is especially critical to characterize for candidate microorganisms that could be part of biological life support systems. Prior research in our laboratory revealed an unexpectedly high level of mutation during spaceflight in the eukaryotic green algae, C. reinhardtii. Based on the spectrum of base changes observed, we concluded that the mutations were generated through a molecular mechanism unique to the spaceflight environment. Spaceflight is a complex set of stresses, and we are using an Earth-based analog to test ionizing radiation as a potential causative variable for the unique mutation spectrum observed in spaceflight. C. reinhardtii was grown exposed to chronic radiation from a Cesium-137 source. Four biological replicate cultures of wild-type cells were grown in gas permeable plastic tissue culture bags in liquid media following the design used on the International Space Station (ISS) during the previous space algae experiment. Radiation levels for this experiment approximate ionizing radiation observed on the moon, in low Earth orbit (LEO), and on Earth. Cells from each replicate were passaged to inoculate the next cycle of growth, then samples were taken from each culture to characterize cell morphology, quantify biomass, and extract DNA. Whole genome sequencing from each culture will be used to identify the frequency and types of mutations in each radiation level. In growth cycles 3 and 4, there was a significant increase in biomass accumulation under lunar radiation level compared to LEO or Earth radiation levels. These results such that ionizing radiation affected growth of C. reinhardtii.
Microbiology↗
Determining Chlamydomonas Reinhardtii Resistance to Ionizing Radiation at A Genome-Wide Scale
Spaceflight is a complex mixture of abiotic stresses that causes a myriad of cellular responses including increased genome-wide mutation load. The impact of spaceflight on mutation load is not well understood for most organisms and is especially critical to characterize for candidate microorganisms that could be part of biological life support systems. Prior research in our laboratory revealed an unexpectedly high level of mutation during spaceflight in the eukaryotic green algae, C. reinhardtii. Based on the spectrum of base changes observed, we concluded that the mutations were generated through a molecular mechanism unique to the spaceflight environment. Spaceflight is a complex set of stresses, and we are using an Earth-based analog to test ionizing radiation as a potential causative variable for the unique mutation spectrum observed in spaceflight. C. reinhardtii was grown exposed to chronic radiation from a Cesium-137 source. Four biological replicate cultures of wild-type cells were grown in gas permeable plastic tissue culture bags in liquid media following the design used on the International Space Station (ISS) during the previous space algae experiment. Radiation levels for this experiment approximate ionizing radiation observed on the moon, in low Earth orbit (LEO), and on Earth. Cells from each replicate were passaged to inoculate the next cycle of growth, then samples were taken from each culture to characterize cell morphology, quantify biomass, and extract DNA. Whole genome sequencing from each culture will be used to identify the frequency and types of mutations in each radiation level. In growth cycles 3 and 4, there was a significant increase in biomass accumulation under lunar radiation level compared to LEO or Earth radiation levels. These results show that ionizing radiation affected growth of C. reinhardtii.
Hope Hersh↗
Diffuse galactic continuum emission measured by COMPTEL and the cosmic-ray electron spectrum
Diffuse galactic continuum gamma-ray emission in the 0.75-30 MeV range from the inner Galaxy has been studied using data from COMPTEL on the Compton Gamma-Ray Observatory. Observations of the inner Galaxy from the Sky Survey have been used. The imaging properties of COMPTEL enable spatial analysis of the gamma-ray distribution using model fitting. A model based on atomic and molecular gas distributions in the Galaxy has been used to derive the emissivity spectrum of the gamma-ray emission and this spectrum is compared with theoretical estimates of bremsstrahlung emission from cosmic-ray electrons.
Strong, A. W.↗
Revealing the relationship between molecular weight of lignin and its color, UV-protecting property
Lignin has great potential as a natural, green, and sustainable broad-spectrum sunscreen active ingredient. However, the coexistence of dark color and sunscreen properties hinders its application in cosmetics. In this study, we focus on the effects of the molecular weight of lignin on tis UV-protecting property and color in order to prepare lignin-based sunscreen with high performance. We report a prepared sunscreen containing low molecular weight lignin (F5, <1000 g/mol) exhibits good UV-protecting property (sun protection factor (SPF) = 7.14) and light color advantages (ΔE = 46.2). Moreover, a strong synergistic effect on UV-protecting property exists between low molecular weight lignin and ethylhexyl methoxycinnamate (EHMC), resulting in high SPF of F5@EHMC-based sunscreen (55.56). Additionally, added TiO 2 can efficiently mitigate the dark color of lignin-based sunscreens due to prominent covering power of TiO 2 . Moreover, lignin-based sunscreens have good biocompatibility with HaCaT cells. This work is useful for understanding the mechanism of the UV-protecting property and dark color of lignin, and for designing an efficient and safe lignin-based sunscreen.
59 BASIC BIOLOGICAL SCIENCES↗
Interstellar Grain Mantles
Techniques for determining the composition of small dust grains in interstellar matter are discussed. The best way to study the composition of interstellar grain mantles is by infrared spectroscopy. The absorption features in a complete infrared spectrum from 2 to 15 microns can be used as fingerprints to identify the absorbing molecule. Ground-based observations around 3 microns confirmed the presence of H2O ice in interstellar grain mantles, through the detection of the 3.08 micron OH stretching vibration. The detection of other molecules, in particular the carbon bearing molecules, is however hampered by atmospheric absorption in the 5-8 micron region and the presence of the strong ice and silicate bands, which dominate the 3 and 10 micron region respectively. Kuiper Airborne Observatory observations of the 5-8 micron region of the spectrum are therefore extremely important to determine the composition of interstellar grain mantles. The 5 to 8 micron spectra of molecular cloud sources was obtained using a 24 detector grating spectrometer. An important characteristic of this spectrometer is that the whole spectrum is obtained simultaneously. It is therefore relatively easy to correct for atmospheric transmission.
Witteborn, F.↗
Is a pyrene-like molecular ion the cause of the 4,430-A diffuse interstellar absorption band?
The diffuse interstellar band (DIB) absorption features of astronomical spectra are suggested by recent results to be separable from the grains that cause visual extinction. Attention is presently given to laboratory measurements of the optical spectrum of the pyrene cation C16H10(+), which is one of the polycyclic aromatic hydrocarbon (PAH) molecular candidates proposed as carriers for DIBs. This ion exhibits an intense but strangely broad continuum similar to that of the naphthalene cation, so that this may be a common feature of all PAH cations and the basis of an explanation for PAHs' converting of an interstellar radiation fraction as large as that from the UV and visible range down to the IR.
Salama, F.↗
Infrared Spectroscopy of Li + Solvation in EmimBF 4 and in Propylene Carbonate: Ab Initio Molecular Dynamics and Experiment
Infrared (IR) spectra of solutions of the lithium salt LiBF 4 in the ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate (EmimBF 4 ) and in the organic solvent propylene carbonate (PC) are studied via infrared spectroscopy and ab initio molecular dynamics (AIMD) simulations. The measurements show that the major effects of LiBF 4 in both solutions, compared to their neat counterparts, are the appearance of a new broad band in the 300-450 cm -1 frequency region and a broadening of the IR structure in the 900-1200 cm -1 region with the development of a new peak at 980 cm -1 . Computational analysis indicates that hindered translational motions of Li + in its solvation cage are mainly responsible for the former, while the latter is due to Li + -induced structural changes and accompanying vibrational frequency shifts of constituent ions and molecules of the solutions. In addition, molecular motions in these and lower frequency regions are generally correlated, disclosing the collective nature of the vibrational dynamics, which involve multiple ions/molecules. Herein, detailed analysis of these features via AIMD simulations of the spectrum and its components arising from auto- and cross-correlations of motions of constituent molecular species, combined with generalized normal modes of the solutions and normal modes of small Li + -containing clusters, is presented. Furthermore, other minor spectral changes caused by the lithium salt as well as the interaction-induced effect on IR spectra are also discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Accurate prediction of terahertz spectra of molecular crystals of fentanyl and its analogs
Fentanyl is a potent synthetic opioid pain reliever with a high bioavailability that can be used as prescription anesthetic. Rapid identification via non-contact methods of both known and emerging opioid substances in the fentanyl family help identify the substances and enable rapid medical attention. We apply PBEh-3c method to identify vibrational normal modes from 0.01 to 3 THz in solid fentanyl and its selected analogs. The molecular structure of each fentanyl analog and unique arrangement of H-bonds and dispersion interactions significantly change crystal packing and is subsequently reflected in the THz spectrum. Further, the study of THz spectra of a series of stereoisomers shows that small changes in molecular structure results in distinct crystal packing and significantly alters THz spectra as well. We discuss spectral features of synthetic opioids with higher potency than conventional fentanyl such as ohmefentanyl and sufentanil and discover the pattern of THz spectra of fentanyl analogs.
42 ENGINEERING↗