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Preparation of reactive cyclic compounds using cryochemical techniques, and low temperature mass spectrometric stability and molecular energetics study
Sensitive millimeter-wave C-12O line observations and near-infrared hydrogen recombination line observations of AFGL 961 are reported and analyzed. The observations show that the high-velocity flow has a maximum extent of at least six arcmin or 1.9 pc at the distance of AFGL 961. The flow is anisotropic and the emission profiles are asymmetric in velocity. The mass of the gas involved in the flow is determined to be approximately 19 solar masses, and the kinetic energy of this gas is estimated to be about 8 x 10 to the 46th ergs. These observations are interpreted as evidence that an energetic bipolar outflow of molecular gas is occurring near AFGL 961. Comparison of infrared recombination line data, radio continuum, and CO observations shows that a strong, ionized, stellar wind would not be a sufficient force to drive the outflow. The effects of the outflow on the surrounding molecular cloud was also investigated.
Observations of the S255 molecular cloud in the radio lines of CO, (C-13)O, and H2O as well as in the IR region from 12 to 20 microns are presented. These results show that an extended molecular cloud is associated with the optically visible H II regions S255 - S257, both the kinetic temperature and molecular density are enhanced in an area centered on a compact near-IR source, this source is also coincident with an OH and an H2O maser (within the errors), and the IR source exhibits the silicon absorption feature. First-order techniques which allow physical properties of molecular clouds to be estimated and the energetics of the gas and dust in the clouds to be analyzed are developed and applied to S255. It is concluded that: (1) the gas cooling rate is much less than the dust cooling rate; (2) the primary energy flow is in the IR through dust emission over a range of temperatures; (3) the near-IR source is apparently responsible for the local peak in gas kinetic temperature; and (4) the exciting stars of nearby H II regions appear to be the primary heat sources for the overall molecular cloud.
The S88 molecular cloud has been observed in several molecular lines and at infrared wavelengths from 1 to 100 microns. The CO emission has a single, sharp peak which is near the H-alpha emission region S88 B and centered on a compact H II region observed in the radio continuum. The infrared observations indicate that the principal luminosity source is located near the radio continuum peak and is hidden behind substantial extinction, presumably from the molecular cloud. The molecular cloud has a size of about 6.5 pc and a mass of about 5,000 solar masses at an assumed distance of 2 kpc. Regions of very high density (more than 10,000/cu cm) do not seem to be present. Analysis of the energetics leads to a predicted dust cooling rate in good agreement with the infrared observations, which indicate L = 180,000 solar luminosities. A more detailed examination of the energetics indicates that densities may be insufficient for collisions of molecules with warm dust grains to heat the gas to the observed kinetic temperature.
The molecular cloud associated with the S235 H II region has been studied by means of molecular lines and near-infrared observations. The cloud consists of two components, one of which partly surrounds the S235 H II region. The other component contains a dense, hot region of active star formation, marked by self-reversed CO profiles, compact H II regions, masers, and infrared sources. From the molecular line data, the size and mass of the two components are estimated to be 6-8 pc and 3000-4000 solar masses. More detailed studies near the region of active star formation yield estimates of density (approximately 200,000-500,000/cu cm) and the abundances of H2CO, HCO(+), HCN, and (C-13)O. Analysis of the energetics suggests that the cloud is heated by the exciting star of S235 and by the exciting stars of the compact H II regions. Assuming that the gas is heated by collisions with warm dust grains, the far-infrared luminosity has been predicted. The observations of far-infrared emission are in reasonable agreement with predictions.
The molecular clouds of S37, which coincides with a region of visual obscuration, is observed at several molecular transition frequencies and at IR wavelengths in the 2-125 micron range. It is found that the temperature and the column density peak near the reflection nebulae vdB 118 and 119, with line splitting and possible self-absorption being observed near the latter. Although many 2-micron sources are observed in the direction of the cloud, no bright, 10-micron sources are seen, and far-IR emission is found over an extensive region in the cloud. An energetics analysis leads to the prediction of a dust cooling rate consistent with the far-IR observations, which indicate not less than 15,000-35,000 solar luminosities, and more detailed energetics examinations show that the conditions necessary for collision heating of the gas by warm dust exist.
Techniques of analysis which allow estimates of kinetic temperature, gas density, gas cooling rate, and dust cooling rate are applied to the S140 molecular cloud. Maps of this cloud in various molecular lines are examined which reveal the existence of a strong temperature and density peak near the H-alpha rim and the presence of a strong near-IR source very near that peak. This source is found to have an energy distribution which is very similar to that of the Becklin-Neugebauer object, including the silicate feature at 9.5 microns. The heating and cooling rates for the gas and dust in S140 are estimated, and the predicted cooling rate for dust is shown to be much greater than that for gas. The molecular-line observations are compared with a spherical large-velocity-gradient trapping calculation. An optimum cloud model is developed which indicates that: (1) (C-13)O, HCO(+), and H2CO are about 10 times less abundant in S140 than in dark clouds; (2) the HCN abundance is approximately 4 times the H2CO abundance in S140, compared with roughly equal values in dark clouds; and (3) the (C-13)O/C(O-18) ratio is consistent with terrestrial isotope ratios.
The present conference on astronomical studies of the Orion Nebula covers molecular clouds in Orion, the use of the nebula's cloak as a model for gas super-shells around OB associations, optical and UV data concerning the nebula's physical conditions, the presence of atomic carbon in Orion, large scale distribution of far-IR and sub-mm line emission, star formation studies in the IR, gas dynamics in the circumstellar nebula of the Becklin-Neugebauer source, maser sources and far-IR CO line emission in Orion-KL, and synthesis maps of mm molecular lines. Also discussed are Orion's star distributions, core region nebular condensations, energetic molecular flows in star-forming cloud cores, IR observations of HH objects, compact continuum radio sources, the SiO maser, shock waves, and the chemical evolution of OB associations.
The processes by which energetic electrons lose energy in a weakly ionized gas of molecular hydrogen are analyzed, and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, and heating efficiencies are computed for electrons with energies up to 100 eV absorbed in a gas with fractional ionizations up to 0.01, and the mean energy per pair of neutral hydrogen atoms is calculated.
Electron secondary emission from interaction of ion, atom and molecular energetic beams with solids, especially when kinetic energy is significant
The synthesis of unusual compounds by techniques employing cryogenic cooling to retard their very extreme reactivity was investigated. Examples of such species that were studied are diimide (N2H2), cyclobutadiene (C4H4), cyclopropanone (C3H4O), oxirene (C2H2O), and many others. Special purpose cryogenically cooled inlet arrangements were designed such that the analyses incurred no warm-up of the cold, and frequently explosively unstable, compounds. Controlled energy electron impact techniques were used to measure critical potentials and to develop the molecular energetics and thermodynamics of these molecules and to gain some insight into their kinetic characteristics as well. Three and four carbon strained ring molecules were studied. Several reactions of oxygen and hydrogen atoms with simple molecules of H, N, C, and O in hard quench configurations were studied. And the quench stabilization of BH3 was explored as a model system in cryochemistry.
The Voyager 1 low-energy charged particle instrument measured electrons and ions with energies below 26 and 40 kiloelectron volts, respectively, in the Saturn magnetosphere. Spectra of all ion species were found to have an energy cutoff at levels greater than 2 million electron volts. In contrast to the magnetospheres of Jupiter and earth, there are no lobe regions essentially devoid of particles in Saturn's nighttime magnetosphere. One novel feature of the Saturn magnetosphere is a pervasive population of energetic molecular hydrogen.
Energetic atomic (O(+1) and N(+1)) and molecular (O2(+1), NO(+1), and N2(+1)) ions of ionospheric origin were observed in Earth's magnetotail at X approximately -146 R(sub E) during two plasma sheet sunward/tailward flow-reversal events measured by instruments on the GEOTAIL spacecraft. These events were associated with concurrent ground-measured geomagnetic disturbance intensification at auroral-and mid-latitudes (Kp = 7(-)). Energetic ions in the sunward-component and tailward flows were from both the solar wind and ionosphere. Plasma and energetic ions participated in the flows. During tailward flow, ionospheric origin ion abundance ratios at approximately 200-900 km/s in the rest frame were N(+1)/O(+1) = approximately 25-30% and ((O2(+1), NO(+1), and N2(+1))/O(+1) = approximately 1-2%. We argue that tailward flow most likely initiated approximately 80-100 R(sub E) tailward of Earth and molecular ions were in the plasma sheet prior to geomagnetic intensification onset.
Voyager 1 and 2 sensor data are analyzed in order to derive the composition, energy spectra, and spatial distribution of energetic ions in the Saturn magnetosphere. In order of abundance, the major species are H, H2(+), He, H3(+), C, and O. The fluxes of all species decreased inside the orbit of Dione, and nearly vanished in the 'slot' region within the orbit of Tethys. Both satellite absorption and precipitation due to pitch angle scattering may be important loss processes in that region. In the outer magnetosphere, photodissociation rapidly destroys a large fraction of the H2(+) ions, but dissociation by impact with neutral H atoms is faster for H2(+) ions in the lowest vibrational state. The ground state lifetime of about 23 days places a limit of about 10-100 days on the mean overall residence time for energetic ions in Saturn's magnetosphere.
The removal energies of constituent atoms from various unreconstructed semiconductor surfaces are calculated using a Green function method. An efficient difference-equation approach within the second-neighbor tight-binding model is employed. For a compound AB, binding energies for the A and B atoms on the (111), (-1 -1 -1), (100), and (110) surfaces are calculated. Analyses are made of the energy to remove an atom from the nearly full surface and from the nearly empty surface. Results are presented for Si, GaAs, CdTe, and HgTe; and the surface sublimation energies are found to depend on surface coverage and do not display a simple linear relationship to the number of bonds broken, as is often assumed in modeling growth by MBE.
Analyses of molecular spectra and compression data from crystals show that a single function successfully describes the dependence on interatomic separation of both the potential energy of diatomic molecules and the cohesive binding energy of condensed matter. The empirical finding that one function describes interatomic energies for such diverse forms of matter and over a wide range of conditions can be used to extend condensed-matter equations of state but warrants further theoretical study.
For some time now it has been suspected that magnetic fields play a major role in determining the mass spectrum of stars formed in molecular clouds. Theoretical models of protostellar evolution in a quiescent environment invoke magnetic fields as one form of cloud support and one which has a decisive effect on the minimum stellar mass formed (cf. Shu, Adams and Lizano 1987; Shu et al. 1988). The magnetic field also might act as an angular momentum dampening mechanism---a vital requirement for gravitational collapse and subsequent star formation (Gillis, Mestel and Paris 1974; Mouschovias 1978). Empirical evidence of the contribution of magnetic fields to the total energetics of molecular clouds comes from analysis of Zeeman splitting of OH absorption and thermal emission lines originating from dense (n greater than 10^4 cm^(-3)) cloud cores (Myers and Goodman 1988; Heiles et al. 1991, and references therein)...
The paper presents the multiconfiguration-self-consistent (MCSCF) and configuration state functions (CSF) for the low-lying electronic states of MgO. It was shown that simple description of these states was possible provided the 1 Sigma(+) states are individually optimized at the MCSCF level, noting that the 1(3 Sigma)(+) and 2(1 Sigma)(+) states which nominally result from the same electron occupation are separated energetically. The molecular orbitals obtained at this level of approximation should provide a useful starting point for extended configuration interaction calculations since they have been optimized for the particular states of interest.