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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 109 records · Page 6
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NASA NTRS1983

Observations of the extinction and excitation of the molecular hydrogen emission in Orion

Observations have been made of two quadrupole purely rotational transitions of molecular hydrogen, the 0-0 S(7) and S(5) lines, and of several previously unobserved vibration-rotation hydrogen lines in the Orion molecular cloud. The line ratios indicate a 2.1-micron extinction of about 2 mag. A comparison of the populations of three vibrational levels shows a distribution of excitation temperatures between 1000 and 3000 K. These values are consistent with the theory that hydrogen is thermally excited in shock-heated gas which cools after passage of the shock front. The total luminosity of the hot molecular hydrogen is 200 plus or minus 80 solar luminosity, and the mass of the emitting gas is of the order 0.05 solar mass. The mass and cooling times of the hot hydrogen indicate that at least 10 solar mass of the material has been heated over the lifetime of the outflow.

Beckwith, S.↗
NASA NTRS1981

Broad-band polarization in molecular spectra

The rotational lines of the CN(0,0) red system have been observed to show a strongly asymmetric Zeeman profile. Certain molecules are very susceptible to magnetic perturbation because of the weakness of their spin-rotation coupling; a fairly weak magnetic field can cause a complete Paschen-Back effect. The calculation of transition probabilities incorporating this effect into the Hamiltonian is discussed, and the detailed calculation is then given. The resulting transition probabilities are transformed into synthetic line profiles by using the Unno (1956) model of polarized radiation transfer. The dependence of the net polarized flux on magnetic field and equivalent width is investigated. It is shown that entire band systems may be significantly polarized. Broad-band circular polarization of sunspots may be due, in part, to molecular bands. Analysis of the CH G band indicates a magnetic field of 0.25-0.50 x 10 to the 6th gauss in the white dwarf G99-37, an order of magnitude lower than previous estimates.

Illing, R. M. E.↗
NASA NTRS1990

Evolution of magnetized, rotating, isothermal clouds

Molecular cloud cores, in which star formation process now proceeds, are often found with elongated shape. This suggests that the core collapsed preferentially along the direction parallel to the global magnetic field and/or parallel to the cloud's initial angular momentum. Actually the magnetic field strength in the cloud has been measured recently with the Zeeman splitting (Goodman et al. 1989). The authors indicate the magnetic field of 10 to 30 mu G exists in the cloud. Further, the observation of polarization in the near IR from background stars shows that the magnetic field runs perpendicularly to the major axis of the cloud (Tamura et al. 1987). As for the angular momentum, the rotation rate of 0.2 to 6 kms s(exp -1) pc(exp -1) is reported (Goldsmith and Arquilla 1984) in 16 dark cloud regions. If the cloud collapses from the diffuse cloud with density n approx. 1 cm (exp -3) with strictly conserving the angular momentum which was shared from the galactic rotation, the rotation rate of the cloud will be x mega sub j = const approx. 3(n/1000 cm exp -3) exp 2/3 km s(exp -1) pc (exp -1) (Mouschovias 1987). The evolution of the rotating magnetized cloud is discussed here.

Tomisaka, Kohji↗
NASA NTRS1969

Molecular collisions. X.

Rotational excitation and scattering of diatomic molecules by structureless atoms, comparing approximation methods

Bernstein, R. B.↗
NASA NTRS2015

Excited Vibrational Level Rotational Constants for SiC2: A Sensitive Molecular Diagnostic for Astrophysical Conditions

Silacyclopropynylidene, SiC2, is a known and highly abundant circumstellar molecule. Its spectrum has been established as a major component of lines observed toward the carbon-rich star IRC +10216 (CW Leonis). It has been detected in its low-lying v(sub 3) = 1 and 2 vibrational states as well as in various isotopic compositions. Increasing sensitivity and spatial resolution will enable many more emission or absorption lines to be detected. In order to detect new molecular species, unassigned lines of known species must be identified. This work uses established ab initio quartic force fields to produce data necessary for this classification of lines related to SiC2. Agreement between the theoretical vibrational frequencies and known rotational and spectroscopic constants is quite good, as good as 5 cm(exp -1) and 3 MHz, respectively in some cases. Additionally, experimentally unknown vibrational frequencies and rotational constants are provided for the first overtones and combination bands in addition to 3(sub v3), the second overtone of the low-lying antisymmetric stretch/carbide rotation mode. Frequencies of v(sub 3) = 3 low-J rotational transitions of the main isotopic species are also estimated from published data for v(sub 3) ≤ 2. Further, we determine rotational and centrifugal distortion parameters for which in most cases vibrational effects due to the v(sub 3) mode were reduced to first, and in several cases also to second order. These values may approximate equilibrium values better than the ground state values. The data produced herein will aid in the experimental and observational characterization of this known astromolecule in order to identify some of the unassigned lines for a known entity.

Astrochemistry↗
NASA NTRS1978

Electron paramagnetic resonance studies of slowly tumbling vanadyl spin probes in nematic liquid crystals

The purposes of this vanadyl spin probe study are threefold: (1) to establish when the breakdown of motionally narrowed formulas occurs; (2) to analyze the experimental vanadyl EPR line shapes by the stochastic Lioville method as developed by Polnaszek et al. (1973) for slow tumbling in an anisotropic liquid; and (3) to compare the vanadyl probe study results with those of Polnaszek and Freed (1975). Spectral EPR line shapes are simulated for experimental spectra of vanadyl acetylacetonate (VOAA) in nematic liquid crystal butyl p-(p-ethoxyphenoxycarbonyl) phenyl carbonate (BEPC) and Phase V of EM laboratories. It is shown that the use of typical vanadyl complexes as spin probes for nematic liquid crystals simplifies the theoretical analysis and the subsequent interpretation. Guidelines for the breakdown of motionally narrowed formulas are established. Both the slow tumbling aspects and the effects of non-Brownian rotation should be resolved in order to extract quantitative information about molecular ordering and rotational mobility.

Bruno, G. V.↗
NASA NTRS1982

High spectral and spatial resolution observations of the 12.28 micron emission from H2 in the Orion Molecular Cloud

The pure rotational S(2) line of H2 at 12.28 microns was sought in 44 positions in the Orion Molecular Cloud with 6-arcsec beams and 35 km/s spectral resolution; and it was detected in 27 positions. The lines are approximately symmetric and have full widths at half-maximum ranging from 100 km/s down to the resolution limit. The distribution of intensities and line shapes is largely consistent with that observed in the 2-micron hydrogen transitions; however, unexpectedly complex line profiles and point-to-point variations in line shapes appear, particularly in the region near IRc9.

Beck, S. C.↗
NASA NTRS1985

Molecular orbital predictions of the vibrational frequencies of some molecular ions

The initial detections of IR vibration-rotation bands in polyatomic molecular ions by recent spectroscopic advances were guided by ab initio prediction of vibrational frequencies. The present calculations predict the vibrational frequencies of additional ions which are candidates for laboratory analysis. Neutral molecule vibrational frequencies were computed at three levels of theory and then compared with experimental data; the effect of scaling was also investigated, in order to determine how accurately vibrational frequencies could be predicted. For 92 percent of the frequencies examined, the relatively simple HF/6-31G theory's vibrational frequencies were within 100/cm of experimental values, with a mean absolute error of 49/cm. On this basis, the frequencies of 30 molecular ions (many possessing astrophysical significance) were computed.

Defrees, D. J.↗
NASA NTRS1990

CS J = 2 yields 1 emission toward the central region of M82

M82 is an irregular (Type II) galaxy located at a distance of approximately 3.5 Mpc. Its unusual appearance and high luminosity, particularly in the infrared, has led many astronomers to classify it as a starburst galaxy. This interpretation is supported by the observation of a large number of radio continuum sources within the central arcminute of the galaxy. These sources are thought to be associated with supernova remnants. The starburst in the central region of the galaxy is believed to have been triggered by tidal interaction with either M81 or the HI cloud surrounding the M81 group. High angular resolution CO-12 J=1 to 0 maps by Nakai (1984) and Lo et al. (1987) indicate the existence of a 400 to 450 pc rotating ring of molecular material about the central region of M82. Red- and blue-shifted absorption components of the HI and OH lines measured by Weliachew et al. (1984) provided the first evidence for the presence of the ring. Many astronomers, each using a different angular resolution, have compared CO-12 J=1 to 0, J=2 to 1, and J=3 to 2 emission and concluded that a large fraction of the CO emission is optically thin. Additional observations suggest that the molecular material toward the center of M82 is clumpy and dense. Unlike the lower rotational transitions of CO, CS is excited only at relatively high densities, n sub H sub 2 greater than or equal to 10(exp 4) cm(-3). It is in clouds with these densities that stars are expected to form. This makes CS an excellent probe of star formation regions. Researchers observed the CS J=2 to 1 transition (97.981 GHz) toward 52 positions in M82 using the National Radio Astronomy Observatory (NRAO) 12 m telescope.

Walker, C. E.↗
NASA NTRS1972

Broadening of the D lines and the relaxation of the resonance levels of sodium due to collisions with helium.

Calculated potentials for the NaHe molecule are used to obtain collision-induced widths and shifts for the sodium D lines together with cross sections for fine-structure transitions and the relaxation of the multipole polarizations of the resonance levels. The atomic collision is treated in an adiabatic approximation in which the colliding atoms form a molecular system which rotates during the collision. We find the resonance lines to be broadened equally and to be approximately 70% wider, and with associated shifts of an order of magnitude smaller, than expected on the basis of van der Waals forces. The dependence of the cross sections for relaxation of the multipole polarizations of the resonance levels on the molecular-coupling conditions and the rotation of the system during collision is discussed and indicates a limitation of the sum rule for these cross sections.

Lewis, E. L.↗
NASA NTRS1998

Infrared Space Observatory Observations of Molecular Hydrogen in HH 54: Measurement of a Nonequilibrium Ratio of Ortho- to Para-H2

We have detected the S(1), S(2), S(3), S(4), and S(5) pure rotational lines of molecular hydrogen toward the outflow source HH 54 using the Short Wavelength Spectrometer on board the Infrared Space Observatory. The observed H2 line ratios indicate the presence of warm molecular gas with an H2 density of at least 10(sup 5) /cc and a temperature approximately 650 K in which the ratio of ortho- to para-H2 is only 1.2 -+ 0.4, significantly smaller than the equilibrium ratio of 3 expected in gas at that temperature. These observations imply that the measured ratio of ortho- to para-H2 is the legacy of an earlier stage in the thermal history of the gas when the gas had reached equilibrium at a temperature approximately 90 K. Based upon the expected timescale for equilibration, we argue that the nonequilibrium ratio of ortho- to para-H2 observed in HH 54 serves as a chronometer that places a conservative upper limit of approximately 5000 yr on the period for which the emitting gas has been warm. The S(2)/,S(l) and S(3)/S(1) H2 line ratios measured toward HH 54 are consistent with recent theoretical models of Timmermann for the conversion of para- to ortho-H2 behind slow, C-type shocks, but only if the preshock ratio of ortho- to para-H2 was approximately < 0.2.

Neufeld, David A.↗
NASA NTRS1998

Infrared Space Observatory Observations of Molecular Hydrogen in HH 54: Measurement of a Nonequilibrium Ratio of Ortho- to Para-H2

We have detected the S(1), S(2), S(3), S(4), and S(5) pure rotational lines of molecular hydrogen toward the outflow source HH 54 using the Short Wavelength Spectrometer on board the Infrared Space Observatory. The observed H2 line ratios indicate the presence of warm molecular gas with an H2 density of at least 10(exp 5) cm(exp -3) and a temperature approximately 650 K in which the ratio of ortho- to para-H2 is only 1.2 +/- 0.4, significantly smaller than the equilibrium ratio of 3 expected in gas at that temperature. These observations imply that the measured ratio of ortho- to para-H2 is the legacy of an earlier stage in the thermal history of the gas when the gas had reached equilibrium at a temperature approximately less than 90 K. Based upon the expected timescale for equilibration, we argue that the nonequilibrium ratio of ortho- to para-H2 observed in HH 54 serves as a chronometer that places a conservative upper limit of approximately 5000 yr on the period for which the emitting gas has been warm. The S(2)/S(1) and S(3)/S(1) H2 line ratios measured toward HH 54 are consistent with recent theoretical models of Timmermann for the conversion of para- to ortho-H2 behind slow, C-type shocks, but only if the preshock ratio of ortho- to para-H2 was approximately less than 0.2.

Neufeld, David A.↗
NASA NTRS2003

The Shock Structure of Supernova Remnant IC443

We present and discuss ISO observations of IC443, a supernova remnant interacting with a molecular cloud. An SWS spectrum centered on molecular hydrogen clump R10E (RA(2000) = 6 17 7.6, Decl(2000) = 22 25 34.6) is dominated by strong [SiII] (34 microns) emission and the pure rotational transitions of molecular hydrogen ranging from 0-0 S(1) to 0-0 S(13). Fits to these H$-2$ lines imply a large column (approx. 7E19 cm$ {-2)$) of warm (T approx. 700 K) gas and an ortho/para ratio for hydrogen near 3. LWS Fabry-Perot spectra of [OI] (63 microns) and [CII] (158 microns) at positions R10E and C (RA(2000) = 6 17 42.8, Decl(2000) = 22 21 38.1) find broad (approx. 75 km/s), blue-shifted (-40 km/s) line profiles; their similarity strongly suggests a common, shock-generated origin for these two lines. The surprisingly large [CII]/[OI] ratio (approx. 0.1 to 0.2) confirms previous observations with the Kuiper Airborne Observatory. These [CII] and [OI] line intensities, the [SiII] intensity (above), and LWS grating measurements of OH (119 microns) and [OI] (145 microns) are all readily fit by a single, fast J-shock model. Although the [OI] (63) emission can alternatively be produced by a slow C-shock, this ensemble of lines can not be produced by such a shock and provides strong evidence for the existence of a J-shock. A 24-arcmin strip map shows that this far-infrared line emission is spatially correlated with the H$-2$ 1-0 S(1) emission, which most likely arises in an associated C-shock. In addition to this spatially correlated shock emission, the strip map identifies extended [CII] and [OI] emission with a significantly larger line ratio (approx. 0.6); this 'background' component is compared with current J-shock, C-shock, photo-dissociation region (PDR), and X-ray dissociation region (XDR) models in an effort to explain its origin.

Haas, Michael R.↗