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Interstellar molecular hydrogen formation by physical adsorption on grains, determining H atoms adsorptive potentials on silicates, graphite, solid hydrogen and ice
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.
Energy loss, contraction and collapse of molecular hydrogen protostars tracing evolutionary processes
Optical determination of molecular hydrogen Lyman band oscillator strength from individual rotational lines
Molecular hydrogen, methane, water vapor and tritium concentrations near stratopause from air samples collected on Aerobee flight with liquid hydrogen cooled cryocondenser
The photodestruction of molecular hydrogen is reexamined in the context of recent observational data. Improvements in the theory of radiation transfer are made by using a more accurate self-shielding integral, treating anisotropic scattering by dust grains, and including photodissociation from excited rotational states. The total column density of hydrogen required to obtain 10% conversion decreases with a parameter, epsilon, the ratio of the formation rate to the destruction rate, as epsilon to the -m power, with m in the range 1.4-1.6. Satisfactory agreement with the data for thicker diffuse clouds is obtained for epsilon of about 0.00006.
This grant has supported the acquisition, reduction and analysis of data targeting the structure and excitation of molecular hydrogen in the reflection nebula IC 63 and in particular the fluorescent emission seen in the UV. In addition to manpower for analyzing the FUSE data, the grant supported the (attempted) acquisition of supporting ground-based data. We proposed for and received observing time for two sets of ground based, data; narrow band imaging ([S II], [O III) at KPNO (July 2002; Observer: Burgh) and imaging spectro-photometry of several of the near-infrared rotation-vibration lines of H2 at the IRTF (October 2003; Observer: Andersson). Unfortunately, both of these runs were failures, primarily because of bad weather, and did not result in any useful data. We combined the FUSE observations with rocket borne observations of the star responsible for exciting the H2 fluorescence in IC 63: gamma Cas, and with archival HUT observations of IC 63, covering the long-wavelength part of the molecular hydrogen fluorescence.
High-angular resolution molecular hydrogen (H2) v = 1-0 S(1) line images of several well-known molecular outflow sources (DR 21, NGC 2071, HH 7-11, and HH 12) are presented. It is found that all of the outflow sources possess highly collimated jets of shock-excited gas that are extremely clumpy and often consist of bright knots that are placed periodically along the jet axis. The H2 emission-line jets are significantly more collimated than their corresponding CO outflows and remain collimated to large distances from their driving source. In DR 21 and NGC 2071, the H2 jets appear to become more collimated with increasing distance from the central source, suggesting that they are pressure-confined by the ambient cloud medium. In HH 7-11 and HH 12 the shock-excited ionized and molecular components are spatially coincident and appear to be of comparable shape and size; this suggests that the shocked gas is highly mixed on scales significantly smaller than the current spatial resolution.
We have constructed three-dimensional models for the equilibrium abundance of molecular hydrogen in diffuse interstellar clouds of arbitrary geometry that are illuminated by ultraviolet radiation. The position-dependent photodissociation rate of H2 in such clouds was computed with a 26 ray approximation to model the attenuation of the incident ultraviolet radiation field by dust and by H2 line absorption. We have applied our modeling technique to the isolated diffuse cloud G236+39, assuming that the cloud has a constant density and that the thickness of the cloud along the line of sight is at every point proportional to the 100 micron continuum intensity measured by IRAS. We find that our model can successfully account for observed variations in the ratio of 100 micron continuum intensity to H I column density, with larger values of that ratio occurring along lines of sight in which the molecular hydrogen fraction is expected to be the largest. Using a standard chi square analysis to assess the goodness of fit of our models, we find (at the 60 a level) that a three-dimensional model is more successful in matching the observational data than a one-dimensional model in which the geometrical extent of the cloud along the line of sight is assumed to be much smaller than its extent in the plane of the sky. If D is the distance to G236 + 39, and given standard assumptions about the rate of grain-catalyzed H2 formation, we find that the cloud has an extent along the line of sight that is 0.9 +/- 0.1 times its mean extent projected onto the plane of the sky and a gas density of 53 +/- 8 (100 pc/D) H nuclei/cc and is illuminated by a radiation field of 1.1 +/- 0.2 (100 pc/D) times the mean interstellar radiation field. The derived 100 micron emissivity per nucleon is 1.13 +/- 0.06 x 10(exp -20) MJy/sr sq cm.
Physical mechanisms for producing vibrationally excited molecular hydrogen, such as has recently been detected toward the Orion Nebula, are discussed. The most likely mechanisms are collisional excitation behind a shock moving into a molecular cloud and near-ultraviolet pumping in the H2 Lyman and Werner bands and subsequent cascade. The absolute intensities of the Orion lines require either a 10-km/s shock moving into a cloud with a density of 300,000 per cu cm or an incident near-UV flux 1 million times the mean interstellar value. The shock model is favored because it matches the observed relative line intensities and because the near-UV source, Theta-1 Ori C, may be too weak to provide the required flux. Intensities of other H2 lines in the shock model are predicted as a further observational discriminant.
Anatase TiO2 is used extensively in a wide range of catalytic and photocatalytic processes and is a promising catalyst for hydrogen production. Here, we show that molecular hydrogen was produced from bridging hydroxyls, HOb, on the (101) surface of single crystal anatase (a-TiO2(101)). Electron bombardment at 30 K produced bridging oxygen vacancies in the surface. Deuterated bridging hydroxyls, DOb, were subsequently formed via dissociation of adsorbed D2O and confirmed by infrared reflection-absorption spectroscopy. During temperature programmed desorption (TPD) spectroscopy, D2 desorption was observed at 520 K. Density functional theory calculations show that both H2 and H2O production from HOb are endothermic at 0 K on a-TiO2(101), but H2 (H2O) desorption is entropically driven above 230 K (800 K). The calculated activation barrier for H2 desorption is 1.40 eV, which is similar to the desorption energy obtained from analysis of the D2 TPD spectra. The H2 desorption likely proceeds in two steps: H atom diffusion on the surface and then recombination. The calculations indicate that diffusion of the hydrogen atoms into the subsurface could also be an important process. We thank Drs. Z. Dohnalek and R. Rousseau for stimulating discussions. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, & Biosciences and performed in EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle. We also acknowledge the WPI computational facilities for providing resources to perform the DFT studies.
A statistical model, the local plasma approximation, is considered for the calculation of the logarithmic mean excitation energy for stopping power of chemically bound particles by taking into consideration chemical bonding. This statistical model is applied to molecular hydrogen and leads to results that suggest a value for the logarithmic mean excitation energy of molecular hydrogen that is larger than the accepted experimental and theoretical values.
Model calculations are performed which demonstrate that H II - H I transition zones with densities between 10 and 100 per cu cm may contain molecular-hydrogen column densities of the order of 10 to the 13th power to 10 to the 15th power per sq cm. Observational data for several stars are presented which confirm the theoretical values. It is concluded that all detectable molecular hydrogen is not necessarily located in cold regions of space.
The synthesis of weak chemical bonds at or near thermodynamic potential is a fundamental challenge in chemistry, with applications ranging from catalysis to biology to energy science. Proton-coupled electron transfer using molecular hydrogen is an attractive strategy for synthesizing weak element–hydrogen bonds, but the intrinsic thermodynamics presents a challenge for reactivity. Here we describe the direct photocatalytic synthesis of extremely weak element–hydrogen bonds of metal amido and metal imido complexes, as well as organic compounds with bond dissociation free energies as low as 31 kcal mol –1 . Key to this approach is the bifunctional behaviour of the chromophoric iridium hydride photocatalyst. Activation of molecular hydrogen occurs in the ground state and the resulting iridium hydride harvests visible light to enable spontaneous formation of weak chemical bonds near thermodynamic potential with no by-products. In conclusion, photophysical and mechanistic studies corroborate radical-based reaction pathways and highlight the uniqueness of this photodriven approach in promoting new catalytic chemistr
We present a series of molecular hydrogen images of the Herbig-Haro 1-2 system in the 1-0 S(1) transition at 2.121 microns, with a spatial resolution of ~2 inches. The distribution of H 2 is then compared with that of the excitation, given by the [S II] 6717+6731 to H-alpha line ratio. We find that most optical condensations in the HH 1-2 system, including the VLA 1 jet, have H 2 counterparts. H 2 emission is detected in most low excitation knots, as expected for low velocity shocks (50 km s sup-1 <), but also in high excitation regions, like in HH 1F and HH 2A'.
Franck-Condon factors for band systems of molecular hydrogen, computing wave functions for vibrational levels using potential energy function, Part I
Intensity and intensity ratio of principal singlet and triplet lines of molecular hydrogen
Using a coupled rotation-vibration-dissociation model the rotational relaxation times for molecular hydrogen as a function of final temperature (500-5000 K), in a hypothetical scenario of sudden compression, are computed. The theoretical model is based on a master equation solver. The bound-bound and bound-free transition rates have been computed using a quasiclassical trajectory method. A review of the available experimental data on the rotational relaxation of hydrogen is presented, with a critical overview of the method of measurements and data reduction, including the sources of errors. These experimental data are then compared with the computed results.