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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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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1971

The molecular spectrum of sunspots

Sunspot molecular lines and rotational temperatures of MgH, CaH and TiO using model umbral atmospheres and photographic spectrograms

Webber, J. C.↗
NASA NTRS2018

Formation of the UV Spectrum of Molecular Hydrogen in the Sun

Ultraviolet (UV) lines of molecular hydrogen have been observed in solar spectra for almost four decades, but the behavior of the molecular spectrum and its implications for solar atmospheric structure are not fully understood. Data from the High-Resolution Telescope Spectrometer (HRTS) instrument revealed that H2 emission forms in particular regions, selectively excited by a bright UV transition region and chromospheric lines. We test the conditions under which H2 emission can originate by studying non-LTE models, sampling a broad range of temperature stratifications and radiation conditions. Stratification plays the dominant role in determining the population densities of H2, which forms in greatest abundance near the continuum photosphere. However, opacity due to the photoionization of Si and other neutrals determines the depth to which UV radiation can penetrate to excite the H2. Thus the majority of H2 emission forms in a narrow region, at about 650 km in standard one dimensional (1D) models of the quiet Sun, near the tau = 1 opacity surface for the exciting UV radiation, generally coming from above. When irradiated from above using observed intensities of bright UV emission lines, detailed non-LTE calculations show that the spectrum of H2 seen in the quiet-Sun Solar Ultraviolet Measurement of Emitted Radiation atlas spectrum and HRTS light-bridge spectrum can be satisfactorily reproduced in 1D stratified atmospheres, without including three-dimensional or time-dependent thermal structures. A detailed comparison to observations from 1205 to 1550 Angstroms is presented, and the success of this 1D approach to modeling solar UV H2 emission is illustrated by the identification of previously unidentified lines and upper levels in HRTS spectra.

Jaeggli, S. A.↗
NASA NTRS2006

Quantum Entanglement Molecular Absorption Spectrum Simulator

Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

Nguyen, Quang-Viet↗
NASA NTRS1995

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen

The emission spectrum of molecular hydrogen produced by electron-impact excitation at 100 eV has been measured in the wavelength range 1140-1690 A. High-resolution, optically thin spectra (delta(lambda) = 0.136 A) of the far-ultraviolet (FUV) Lyman and Werner band systems have been obtained with a newly constructed 3 m spectrometer. Synthetic spectral intensities based on the transition probabilities calculated by Abgrall et al. are in very good agreement with experimentally observed intensities. Previous modeling that utilized Allison & Daigarno band transition probabilities with Hoenl-London factors breaks down when the transition moment has significant J dependence or when ro-vibrational coupling is significant. Ro-vibrational perturbation between upsilon = 14 of the B(sup 1)Sigma(sup +, sub u) state and upsilon = 3 of the C(sup 1)Pi(sub u) state and the rotational dependence of the transition moment in the bands of the Lyman system are examined. Complete high-resolution experimental reference FUV spectra, together with the model synthetic spectra based on the Abgrall transition probabilities, are presented. An improved calibration standard is obtained, and an accurate calibration of the 3 m spectrometer has been achieved.

Liu, Xian-Ming↗
NASA NTRS1997

Bromine Dioxide, OBrO: The Rotational Spectrum and Molecular Properties

The spectra are well descrie by Hamiltonian which included centrifugal distortion efects for fine and hyperfine terms. The molecular structure and the harmonic force field have been derived, and they as well as fine and hyperfine structure constants, are compared with data of related molecules and ESR data from OBrO isolated in cryogenic salt matrices.

Bromine Dioxide Rotational Spectrum↗
NASA NTRS1993

Molecular-beam spectrum of the 970/cm Fermi triad of CF3CH3

A tunable MW-sideband CO2 laser is used with an electric-resonance optothermal spectrometer to investigate the IR spectrum of CF3CH3 near 970/cm. A Fermi-coupled triad of states is observed, resulting from the interactions of 2nu6+nu11 and nu5+nu12 with the fundamental vibration, nu10, which is assumed to carry the oscillator strength in this region. The high resolution (about 3 MHz) of the spectrometer allows the observation of tunneling splittings associated with the nu6 torsional vibration. These splittings are used to identify the torsional character of the states observed. At the normal-mode level the nu10 and nu5+nu12 states are found to be nearly degenerate and interacting by an anharmonic matrix element of about 3/cm. The present investigation illustrates the utility of using resolved torsional splittings to unravel complex vibrational couplings in molecules.

Fraser, G. T.↗
NASA NTRS1997

Dibromine Monoxide, Br2O: The Rotational Spectrum and Molecular Properties

The rotational spectra of (79)Br2O, (79)BrO(81)Br, and Br2O in their ground vibrational states as well as (79)BrO(81)Br in its v (sub 2) = 1 state have been studied in selected regions between 90 and 523 GHz. Transitions involving a large range of quantum numbers, 6 less than or equal to J less than or equal to 123 and 0 less than or equal to K (sub a) less than or equal to 12, have been observed permitting precise rotational and a large set of centrifugal distortion constants to be determined. All isotopic species as well as the excited state data were fit simultaneously. Ground-state effective and average structural parameters as well as an estimate of the equilibrium structure have been derived. The quartic distortion constants were used for a calculation of the harmonic force field. The complete quadrupole tensor has been determined. Its diagonalization reveals a largely covalent BrO bond with little pi-bonding. The derived properties of Br2O are compared with those of related compounds such as Cl2O, HOBR, and HOCl.

Mueller, Holger S. P.↗
DOE OSTI2024

Symmetry Breaking in the Lowest-Lying Excited-State of CCl4: Valence Shell Spectroscopy in the 5.0–10.8 eV Photon Energy Range

We report absolute high-resolution vacuum ultraviolet (VUV) photoabsorption cross-sections of carbon tetrachloride (CCl4) in the photon energy range 5.0–10.8 eV (248–115 nm). The molecular spectrum and electronic structure have been comprehensively investigated together with quantum chemical calculations, providing geometries, bond lengths, vertical excitation energies and oscillator strengths. The major electronic excitations have been assigned to valence and Rydberg transitions which are also accompanied by vibrational excitation assigned to degenerate stretching, v3′t2 and degenerate deformation v4′t2 modes. The rather complex nuclear dynamics along the degenerate deformation mode, v4′t2, have been thoroughly investigated by Time-Dependent Density Functional Theory (TD-DFT) method. The relevant Jahn–Teller distortion operative within the lowest-lying electronic excited-state is shown here for the first time in order to yield a weak absorption feature at 6.156 eV. Further calculations on the potential energy curves for the singlet excited-states along the C–Cl stretching coordinate show the relevance of efficient C–Cl bond excision.

Biochemistry & Molecular Biology↗
NASA NTRS1981

Design and preliminary tests of an IR-airborne LLWS remote sensing system

Recent history underscores the need for in-cockpit alerts of LLWS for takeoffs and landings. The 13-15 micron portion of the CO2 molecular spectrum can be used to remote sense LLWS in and around thunderstorms. A radiometer with a designed look-distance of about 10 km remote senses an average air temperature along a forward, horizontal path. Wind shear alerts are based on the difference between this forward air temperature and the air temperature near the aircraft. Although spectral ranging, a major design improvement of an IR LLWS alert system, is not at present feasible with noncooled detectors, it is an important technique to keep in mind, given the rapid advance in IR technology.

Caracena, F.↗
NASA NTRS1997

Mutagenic effects of a single and an exact number of alpha particles in mammalian cells

One of the main uncertainties in risk estimation for environmental radon exposure using lung cancer data from underground miners is the extrapolation from high- to low-dose exposure where multiple traversal is extremely rare. The biological effects of a single alpha particle are currently unknown. Using the recently available microbeam source at the Radiological Research Accelerator Facility at Columbia University, we examined the frequencies and molecular spectrum of S1- mutants induced in human-hamster hybrid (A(L)) cells by either a single or an exact number of alpha particles. Exponentially growing cells were stained briefly with a nontoxic concentration of Hoechst dye for image analysis, and the location of individual cells was computer-monitored. The nucleus of each cell was irradiated with either 1,2,4, or 8 alpha particles at a linear energy transfer of 90 keV/microm consistent with the energy spectrum of domestic radon exposure. Although single-particle traversal was only slightly cytotoxic to A(L) cells (survival fraction approximately 0.82), it was highly mutagenic, and the induced mutant fraction averaged 110 mutants per 10(5) survivors. In addition, both toxicity and mutant induction were dose-dependent. Multiplex PCR analysis of mutant DNA showed that the proportion of mutants with multilocus deletions increased with the number of particle traversals. These data provide direct evidence that a single a particle traversing a nucleus will have a high probability of resulting in a mutation and highlight the need for radiation protection at low doses.

NASA Discipline Radiation Health↗