Molecular hydrogen in damped Lyα systems: clues to interstellar physics at high redshift

In order to interpret H₂ quasar absorption-line observations of damped Lyα systems (DLAs) and subDLAs, we model their H₂ abundance as a function of dust-to-gas ratio, including H₂ self-shielding and dust extinction against dissociating photons. Then, we constrain the physical state of the gas by using H₂ data. Using H₂ excitation data for DLAs with H₂ detections, we derive a gas density  1.5 ≲ log n (cm⁻³) ≲ 2.5  , temperature  1.5 ≲ log T (K) ≲ 3  , and an internal ultraviolet (UV) radiation field (in units of the Galactic value)  0.5 ≲ log χ≲ 1.5  . We then find that the observed relation between the molecular fraction and the dust-to-gas ratio of the sample is naturally explained by the above conditions. However, it is still possible that H₂ deficient DLAs and subDLAs with H₂ fractions less than  ∼10⁻⁶  are in a more diffuse and warmer state. The efficient photodissociation by the internal UV radiation field explains the extremely small H₂ fraction  (≲10⁻⁶)  observed for  κ≲ 1/30  (κ is the dust-to-gas ratio in units of the Galactic value); H₂ self-shielding causes a rapid increase in, and large variations of, H₂ abundance for  κ≳ 1/30  . We finally propose an independent method to estimate the star formation rates of DLAs from H₂ abundances; such rates are then critically compared with those derived from other proposed methods. The implications for the contribution of DLAs to the cosmic star formation history are briefly discussed.     

Formation of H2 on an olivine surface: a computational study

The formation of H₂ on a pristine olivine surface [forsterite (010)] is investigated computationally. Calculations show that the forsterite surface catalyzes H₂ formation by providing chemisorption sites for H atoms. The chemisorption route allows for stepwise release of the reaction exothermicity and stronger coupling to the surface, which increases the efficiency of energy dissipation. This suggests that H₂ formed on a pristine olivine surface should be much less rovibrationally excited than H₂ formed on a graphite surface. Gas-phase H atoms impinging on the surface will first physisorb relatively strongly  ( E _phys= 1240 K)  . The H atom can then migrate via desorption and re-adsorption, with a barrier equal to the adsorption energy. The barrier for a physisorbed H atom to become chemisorbed is equal to the physisorption energy, therefore there is almost no gas-phase barrier to chemisorption. An impinging gas-phase H atom can easily chemisorb  ( E _chem= 12 200 K)  , creating a defect where a silicate O atom is protonated and a single electron resides on the surface above the adjacent magnesium ion. This defect directs any subsequent impinging H atoms to chemisorb strongly (39 800 K) on the surface electron site. The two adjacent chemisorbed atoms can subsequently recombine to form H₂ via a barrier (5610 K) that is lower than the chemisorption energy of the second H atom. Alternatively, the adsorbed surface species can react with another incoming H atom to yield H₂ and regenerate the surface electron site. This double chemisorption 'relay mechanism' catalyzes H₂ formation on the olivine surface and is expected to attenuate the rovibrational excitation of H₂ thus formed.     

The ortho- to para- ratio of H2 in the starburst of NGC 253

We present measurements of several near-infrared emission lines from the nearby galaxy NGC 253. We have been able to measure four H₂ lines across the circumnuclear starburst, from which we estimate the ortho- to para- ratio of excited H₂ to be ∼2. This indicates that the bulk of the H₂ emission arises from photodissociation regions (PDRs), rather than from shocks. This is the case across the entire region of active star formation.
As the H₂ emission arises from PDRs, it is likely that the ratio of H₂ to Brγ (the bright hydrogen recombination line) is a measure of the relative geometry of O and B stars and PDRs. Towards the nucleus of NGC 253 the geometry is deduced to be tightly clustered O and B stars in a few giant H  II regions that are encompassed by PDRs. Away from the nuclear region, the geometry becomes that of PDRs bathed in a relatively diffuse ultraviolet radiation field.
The rotation curves of 1–0 S(1) and Brγ suggest that the ionized gas is tracing a kinetic system different from that of the molecular gas in NGC 253, particularly away from the nucleus.     

Shocked gas around Cepheus A: evidence for multiple outflows from H2S and SO2 observations

The Cepheus A star-forming region has been investigated through a multiline H₂S and SO₂ survey at millimetre wavelengths. Large-scale maps and high-resolution line profiles reveal the occurrence of several outflows. Cep A East is associated with multiple mass-loss processes: in particular, we detect a 0.6-pc jet-like structure which shows for the first time that the Cep A East young stellar objects are driving a collimated outflow moving towards the south.
The observed outflows show different clumps associated with definitely different H₂S/SO₂ integrated emission ratios, indicating that the gas chemistry in Cepheus A has been altered by the passage of shocks. H₂S appears to be more abundant than SO₂ in high-velocity clumps, in agreement with chemical models. However, we also find quite small H₂S linewidths, suggestive of regions where the evaporated H₂S molecules had enough time to slow down but not to freeze out on to dust grains. Finally, comparison between the line profiles indicates that the excitation conditions increase with the velocity, as expected for a propagation of collimated bow shocks.     

The contributions of J-type shocks to the H2 emission from molecular outflow sources

We present the results of modelling of the H₂ emission from molecular outflow sources, induced by shock waves propagating in the gas. We emphasize the importance of proper allowance for departures from equilibrium owing to the finite flow velocity of the hot, compressed gas, with special reference to the excitation, dissociation and reformation of H₂. The salient features of our computer code are described. The code is applied to interpreting the spectra of the outflow sources Cepheus A West and HH43. Particular attention is paid to determining the cooling times in shocks whose speeds are sufficient for collisional dissociation of H₂ to take place; the possible observational consequences of the subsequent reformation of H₂ are also examined. Because molecular outflow sources are intrinsically young objects, J-type shocks may be present in conjunction with magnetic precursors, which have a C-type structure. We note that very different physical and dynamical conditions are implied by models of C- and J-type shocks which may appear to fit the same H₂ excitation diagram.     

On the possibility of observing H2 emission from primordial molecular cloud kernels

We study the prospects for observing H₂ emission during the assembly of primordial molecular cloud kernels. The primordial molecular cloud cores, which resemble those at the present epoch, can emerge around  1+ z ∼20  according to recent numerical simulations. The kernels form inside the cores, and the first stars will appear inside the kernels. A kernel typically contracts to form one of the first generation stars with an accretion rate that is as large as ∼0.01 M_⊙ yr⁻¹. This occurs owing to the primordial abundances, which result in a kernel temperature of order 1000 K, and the collapsing kernel emits H₂ line radiation at a rate ∼10³⁵ erg s⁻¹. Predominantly   J =5-3   ( v =0)  rotational emission of H₂ is expected. At redshift  1+ z ∼20  , the expected flux is ∼0.01 μJy for a single kernel. While an individual object is not observable by any facilities available in the near future, the expected assembly of primordial star clusters on subgalactic scales can result in fluxes at the sub-mJy level. This is marginally observable with ASTRO-F and ALMA. We also examine the rotational   J =2-0   ( v =0)  and vibrational   δv =1  emission lines. The former may possibly be detectable with ALMA.     

Interaction between the north-eastern boundary of Sgr A East and giant molecular clouds

We have detected the   v = 1 → 0 S(1) (λ= 2.1218 μm)  and   v = 2 → 1 S(1) (λ= 2.2477 μm)  lines of H₂ in the Galactic Centre, in a  90 × 27 arcsec²  region between the north-eastern boundary of the non-thermal source Sgr A East, and the giant molecular cloud (GMC)  M−0.02 − 0.07  . The detected  H₂ v = 1 → 0  S(1) emission has an intensity of  1.6–21 × 10⁻¹⁸ W m⁻² arcsec⁻²  and is present over most of the region. Along with the high intensity, the large linewidths  (FWHM = 40–70 km s⁻¹)  and the  H₂ v = 2 → 1 S(1)  to   v = 1 → 0 S(1)  line ratios (0.3–0.5) can be best explained by a combination of C-type shocks and fluorescence. The detection of shocked H₂ is clear evidence that Sgr A East is driving material into the surrounding adjacent cool molecular gas. The H₂ emission lines have two velocity components at ∼+50 and  ∼0 km s⁻¹  , which are also present in the NH₃(3, 3) emission mapped by McGary, Coil & Ho. This two-velocity structure can be explained if Sgr A East is driving C-type shocks into both the  GMC M−0.02 − 0.07  and the northern ridge of McGary et al.     

The excitation and kinematical properties of H2 and [Fe ii] in the HH 46/47 bipolar outflow

Long-slit spectra of the molecular outflow Herbig–Haro (HH) 46/47 have been taken in the J and K near-infrared bands. The observed H₂ line emission confirms the existence of a bright and extended redshifted counter-jet outflow south-west of HH 46. In contrast with the optical appearance of this object, we show that this outflow seems to be composed of two different emission regions characterized by distinct heliocentric velocities. This implies an acceleration of the counter-jet.
The observed [Fe  ii ] emission suggests an average extinction of 7–9 visual magnitudes for the region associated with the counter-jet.
Through position–velocity diagrams, we show the existence of different morphologies for the H₂ and [Fe  ii ] emission regions in the northern part of the HH 46/47 outflow. We have detected for the first time high-velocity (−250 km s⁻¹) [Fe  ii ] emission in the region bridging HH 46 to HH 47A. The two strong peaks detected can be identified with the optical positions B8 and HH 47B.
The H₂ excitation diagrams for the counter-jet shock suggest an excitation temperature for the gas of T _ex≈2600 K . The lack of emission from the higher energy H₂ lines, such as the 4–3 S(3) transition, suggests a thermal excitation scenario for the origin of the observed emission. Comparison of the H₂ line ratios with various shock models yielded useful constraints about the geometry and type of these shocks. Planar shocks can be ruled out whereas curved or bow shocks (both J- and C-type) can be parametrized to fit our data.     

C-type shocks in the interstellar medium: profiles of CH+ and CH absorption lines

We have computed optical absorption-line profiles of CH⁺ and CH, as predicted by a model of a C-type shock propagating in a diffuse interstellar cloud. Both these species are produced in the shock wave in the reaction sequence that is initiated by C⁺(H₂, H)CH⁺. Whilst CH⁺ flows at the ion speed, CH, which forms in the dissociative recombination reaction CH⁺₃(e⁻, H₂)CH, flows at a speed which is intermediate between those of the ions and the neutrals. The predicted velocity shift between the CH⁺ and CH line profiles is found to be no more than approximately 2 km s⁻¹, which is smaller than has previously been assumed. We also investigate OH and HCO⁺, finding that the correlation between their column densities, recently observed in the diffuse interstellar medium, can be reproduced by the model.     

Chemical evolution ahead of Herbig–Haro objects

Compact regions of enhanced HCO⁺ and NH₃ emission have been detected close to a number of Herbig–Haro objects. An interpretation of these detections is the following: a transient clump within the molecular cloud has been irradiated by the shock that generates the Herbig–Haro object. The irradiation releases icy mantles from the grains within the transient clump and initiates a photochemistry. On the basis of this picture, we have developed an extensive chemical model which predicts that a wide range of species, other than NH₃ and HCO⁺, should also be detectable. These include CH₃OH, H₂S, C₃H₄, H₂CO, SO, SO₂, H₂CS and NS. The chemical effects should last ∼  10⁴ yr  .     

Testing the circumstellar disc hypothesis: a search for H2 outflow signatures from massive young stellar objects with linearly distributed methanol masers

The results of a survey searching for outflows using near-infrared imaging are presented. Targets were chosen from a compiled list of massive young stellar objects associated with methanol masers in linear distributions. Presently, it is a widely held belief that these methanol masers are found in (and delineate) circumstellar accretion discs around massive stars. If this scenario is correct, one way to test the disc hypothesis is to search for outflows perpendicular to the methanol maser distributions. The main objective of the survey was to obtain wide-field near-infrared images of the sites of linearly distributed methanol masers using a narrow-band 2.12-μm filter. This filter is centred on the  H₂ v = 1–0 S(1)  line; a shock diagnostic that has been shown to successfully trace CO outflows from young stellar objects. 28 sources in total were imaged of which 18 sources display H₂ emission. Of these, only two sources showed emission found to be dominantly perpendicular to the methanol maser distribution. Surprisingly, the H₂ emission in these fields is not distributed randomly, but instead the majority of sources are found to have H₂ emission dominantly parallel to their distribution of methanol masers. These results seriously question the hypothesis that methanol masers exist in circumstellar discs. The possibility that linearly distributed methanol masers are instead directly associated with outflows is discussed.     

Shocked molecular gas towards the supernova remnant G359.1–0.5 and the Snake

We have found a bar of shocked molecular hydrogen (H₂) towards the OH(1720 MHz) maser located at the projected intersection of supernova remnant (SNR)  G359.1–0.5  and the non-thermal radio filament known as the Snake. The H₂ bar is well aligned with the SNR shell and almost perpendicular to the Snake. The OH(1720 MHz) maser is located inside the sharp western edge of the H₂ emission, which is consistent with the scenario in which the SNR drives a shock into a molecular cloud at that location. The spectral line profiles of ¹²CO, HCO⁺ and CS towards the maser show broad-line absorption, which is absent in the ¹³CO spectra and most probably originates from the pre-shock gas. A density gradient is present across the region and is consistent with the passage of the SNR shock, while the H₂ filament is located at the boundary between the pre-shock and post-shock regions.     

An infrared proper motion study of the Orion bullets

We report the first infrared proper motion measurements of the HerbigHaro objects in OMC-1 using a 4-yr time baseline. The [Fe  ii ]-emitting bullets are moving of the order of 0.08 arcsec per year, or at about 170 km s¹. The direction of motion is similar to that inferred from their morphology. The proper motions of H₂-emitting wakes behind the [Fe  ii ] bullets, and of newly found H₂ bullets, are also measured. H₂ bullets have smaller proper motion than [Fe  ii ] bullets, while H₂ wakes with leading [Fe  ii ] bullets appear to move at similar speeds to their associated bullets. A few instances of variability in the emission can be attributed to dense, stationary clumps in the ambient cloud being overrun, setting up a reverse-oriented bullet. Differential motion between [Fe  ii ] bullets and their trailing H₂ wakes is not observed, suggesting that these are not separating, and also that they have reached a steady-state configuration over at least 100 yr. The most distant bullets have, on average, larger proper motions, but are not consistent with free expansion. Nevertheless, an impulsive, or short-lived (<<1000 yr), duration for their origin seems likely.     

Chemically driven desorption of CO from icy grains in dark clouds

The chemical desorption of an adsorbed CO molecule in the vicinity of H₂-forming sites on cosmic dust grains in cold dense clouds is investigated theoretically, mainly using a model based on a classical molecular dynamics computational simulation. As a model surface for icy mantles of dust grains, an amorphous water ice slab is generated at 10 K, and the first and the second H atoms are thrown on to the model surface to reproduce the recombination process of the two H atoms, H+H→H₂. Then, the time and space dependence of the local temperature increase of icy mantles caused by the release of H₂ formation energy in the vicinity of H₂-forming sites is examined. It is found that icy mantles are heated locally up to about 30 K in the surface region at R 4 Å and about 20 K at 4 R 6 Å, where R is the distance from the H₂-forming site. The critical temperature of CO desorption is estimated to be about 20–30 K under conditions in typical dense clouds, which might be seen to be comparable to the above result. However, the lifetime of local heating of icy mantles is found to be too short, compared with the time-scale of CO desorption (10¹³ s) and that for H₂ forming in the vicinity of an adsorbed CO molecule (more than 2×10¹³ s). Thus, it is found that the efficiency of chemical desorption of CO on a large dust grain is negligible. On the other hand, chemical desorption can occur on a small dust grain with size less than 20 Å.     

Molecular hydrogen emission in Cygnus A

We present J , H and K -band spectroscopy of Cygnus A, spanning 1.0–2.4 μm in the rest-frame and hence several rovibrational H₂, H recombination and [Fe  ii ] emission lines. The lines are spatially extended by up to 6 kpc from the nucleus, but their distinct kinematics indicate that the three groups (H, H₂ and [Fe  ii ]) are not wholly produced in the same gas. The broadest line, [Fe  ii ] λ 1.644, exhibits a non-Gaussian profile with a broad base (FWHM≃1040 km s⁻¹), perhaps because of the interaction with the radio source. Extinctions to the line-emitting regions substantially exceed earlier measurements based on optical H recombination lines.
Hard X-rays from the quasar nucleus are likely to dominate the excitation of the H₂ emission. The results of Maloney, Hollenbach & Tielens are thus used to infer the total mass of gas in H₂ v=1–0 S(1)-emitting clouds as a function of radius, for gas densities of 10³ and 10⁵ cm⁻³, and stopping column densities N _H=10²²–10²⁴ cm⁻². Assuming azimuthal symmetry, at least 2.3×10⁸ M_⊙ of such material is present within 5 kpc of the nucleus, if the line-emitting clouds see an unobscured quasar spectrum. Alternatively, if the bulk of the X-ray absorption to the nucleus inferred by Ueno et al. actually arises in a circumnuclear torus, the implied gas mass rises to ∼10¹⁰ M_⊙. The latter plausibly accounts for 10⁹ yr of mass deposition from the cluster cooling flow, for which within this radius.     

A textbook case of bow shock entrainment in a YSO outflow

Near-infrared images in H₂ line emission and submillimetre maps in CO J  = 3–2 emission illustrate the remarkable association between a molecular bow shock and the redshifted molecular outflow lobe in W75N. The flow lobe fits perfectly into the wake of the bow, as one would expect if the lobe represented swept-up gas. Indeed, these observations strongly support the 'bow shock' entrainment scenario for molecular outflows driven by young stars.   The characteristics of the bow shock and CO outflow lobe are compared with those of numerical simulations of jet-driven flows. These models successfully reproduce the bulge and limb-brightening in the CO outflow, although the model H₂ bow exhibits more structure extending back along the flow axis. We also find that the size of the flow, the high mass fraction in the flow at low outflow velocities (low γ values) and the high CO/H₂ luminosity ratio indicate that the system is evolved. We also predict a correlation, in evolved systems, between outflow age and the CO/H₂ luminosity ratio.     

Formation of CO2 on a carbonaceous surface: a quantum chemical study

The formation of CO₂ in the gas phase and on a polyaromatic hydrocarbon surface (coronene) via three possible pathways is investigated with density functional theory. Calculations show that the coronene surface catalyses the formation of CO₂ on model grain surfaces. The addition of ³O to CO is activated by 2530 K in the gas phase. This barrier is lowered by 253 K for the Eley–Rideal mechanism and 952 K for the hot-atom mechanism on the surface of coronene. Alternative pathways for the formation of CO₂ are the addition of ³O to the HCO radical, followed by dissociation of the HCO₂ intermediate. The O + HCO addition is barrierless in the gas phase and on the surface and is more than sufficiently exothermic to subsequently cleave the H–C bond. The third mechanism, OH + CO addition followed by H removal from the energized HOCO intermediate, has a gas-phase exit barrier that is 1160 K lower than the entrance barrier. On the coronene surface, however, both barriers are almost equal. Because the HOCO intermediate can also be stabilized by energy dissipation to the surface, it is anticipated that for the surface reaction the adsorbed HOCO could be a long-lived intermediate. In this case, the stabilized HOCO intermediate could react, in a barrierless manner, with a hydrogen atom to form H₂+ CO₂, HCO₂H, or H₂O + CO.     

Fabry–Perot imaging of NGC 6090 in H2 emission

We have obtained an H₂ v =1–0 S(1) image of a merging galaxy system, NGC 6090, by using a Fabry–Perot imager. The H₂ emission originates between the double nuclei of pre-merger galaxies, and exhibits an arc-like or ring-like structure almost connecting the double nuclei. This structure is similar to that suggested for Arp 220 from the velocity field measured by CO radio emission. The separation of the double nuclei in NGC 6090 is 5–6 arcsec, corresponding to a projected distance of 3–4 kpc. This is much larger than that of Arp 220 and suggests that the molecular gas distribution can form an organized shape between the nuclei, such as a ring, in a rather early phase of merging.     

Universal gas density and temperature profile

We explore possibilities of collapse and star formation in Population III objects exposed to the external ultraviolet background (UVB) radiation. Assuming spherical symmetry, we solve self-consistently radiative transfer of photons, non-equilibrium H₂ chemistry and gas hydrodynamics. Although the UVB does suppress the formation of low-mass objects, the negative feedback turns out to be weaker than previously suggested. In particular, the cut-off scale of collapse drops significantly below the virial temperature T _vir∼10⁴ K at weak UV intensities ( J ₂₁≲10⁻²) , owing to both self-shielding of the gas and H₂ cooling. Clouds above this cut-off tend to contract highly dynamically, further promoting self-shielding and H₂ formation. For plausible radiation intensities and spectra, the collapsing gas can cool efficiently to temperatures well below 10⁴ K before rotationally supported and the final H₂ fraction reaches ∼ 10⁻³.
Our results imply that star formation can take place in low-mass objects collapsing in the UVB. The threshold baryon mass for star formation is ∼ 10⁹ M_⊙ for clouds collapsing at redshifts z ≲3 , but drops significantly at higher redshifts. In a conventional cold dark matter universe, the latter coincides roughly with that of the 1 σ density fluctuations. Objects near and above this threshold can thus constitute 'building blocks' of luminous structures, and we discuss their links to dwarf spheroidal/elliptical galaxies and faint blue objects. These results suggest that the UVB can play a key role in regulating the star formation history of the Universe.     

Discovery of molecular hydrogen line emission associated with methanol maser emission

We report the discovery of H₂ line emission associated with 6.67-GHz methanol maser emission in massive star-forming regions. In our UNSWIRF/AAT observations, H₂ 1–0 S(1) line emission was found associated with an ultracompact H  ii region IRAS 14567–5846 and isolated methanol maser sites in G318.95–0.20 , IRAS 15278–5620 and IRAS 16076–5134 . Owing to the lack of radio continuum in the latter three sources, we argue that their H₂ emission is shock excited, while it is UV-fluorescently excited in IRAS 14567–5846 . Within the positional uncertainties of 3 arcsec, the maser sites correspond to the location of infrared sources. We suggest that 6.67-GHz methanol maser emission is associated with hot molecular cores, and propose an evolutionary sequence of events for the process of massive star formation.