N. Crimier

Quasi-classical rate coefficient calculations for the rotational (de)excitation of H2O by H2

Context. The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of H 2 O by H 2 molecules is the process of most interest in interstellar space. Aims. To determine rate coefficients for rotational de-excitation among the lowest 45 para and 45 ortho rotational levels of H 2 O colliding with both para and ortho-H 2 in the temperature range 20-2000 K. Methods. Rate coefficients are calculated on a recent high-accuracy H 2 O-H 2 potential energy surface using quasi-classical trajectory calculations. Trajectories are sampled by a canonical Monte-Carlo procedure. H 2 molecules are assumed to be rotationally thermalized at the kinetic temperature. Results. By comparison with quantum calculations available for low lying levels, classical rates are found to be accurate within a factor of 1-3 for the dominant transitions, that is those with rates larger than a few 10 -12 cm 3 s -1 . Large velocity gradient modelling shows that the new rates have a significant impact on emission line fluxes and that they should be adopted in any detailed population model of water in warm and hot environments.

Herschel spectral surveys of star-forming regions - Overview of the 555–636 GHz range

High resolution line spectra of star-forming regions are mines of information: they provide unique clues to reconstruct the chemical, dynamical, and physical structure of the observed source. We present the first results from the Herschel key project “Chemical HErschel Surveys of Star forming regions”, CHESS. We report and discuss observations towards five CHESS targets, one outflow shock spot and four protostars with luminosities bewteen 20 and 2 × 105 L_ȯ: L1157-B1, IRAS 16293-2422, OMC2-FIR4, AFGL 2591, and NGC 6334I. The observations were obtained with the heterodyne spectrometer HIFI on board Herschel, with a spectral resolution of 1 MHz. They cover the frequency range 555-636 GHz, a range largely unexplored before the launch of the Herschel satellite. A comparison of the five spectra highlights spectacular differences in the five sources, for example in the density of methanol lines, or the presence/absence of lines from S-bearing molecules or deuterated species. We discuss how these differences can be attributed to the different star-forming mass or evolutionary status. Herschel is an ESA space observatory with science instruments provided by European-led principal Investigator consortia and with important participation from NASA.Figures [see full textsee full text]-[see full textsee full text] and Tables 3, 4 (pages 6 to 8) are only available in electronic form at http://www.aanda.org

Nitrogen hydrides in the cold envelope of IRAS 16293-2422

Nitrogen is the fifth most abundant element in the Universe, yet the gas-phase chemistry of N-bearing species remains poorly understood. Nitrogen hydrides are key molecules of nitrogen chemistry. Their abundance ratios place strong constraints on the production pathways and reaction rates of nitrogen-bearing molecules. We observed the class 0 protostar IRAS 16293-2422 with the heterodyne instrument HIFI, covering most of the frequency range from 0.48 to 1.78 THz at high spectral resolution. The hyperfine structure of the amidogen radical o-NH2 is resolved and seen in absorption against the continuum of the protostar. Several transitions of ammonia from 1.2 to 1.8 THz are also seen in absorption. These lines trace the low-density envelope of the protostar. Column densities and abundances are estimated for each hydride. We find that NH:NH2:NH3 ≈ 5:1:300. Dark clouds chemical models predict steady-state abundances of NH2 and NH3 in reasonable agreement with the present observations, whilst that of NH is underpredicted by more than one order of magnitude, even using updated kinetic rates. Additional modelling of the nitrogen gas-phase chemistry in dark-cloud conditions is necessary before having recourse to heterogen processes. Herschel is an ESA space observatory with science instruments provided by European-led principal Investigator consortia and with important participation from NASA.Appendices (pages 6, 7) are only available in electronic form at http://www.aanda.org

The solar type protostar IRAS16293-2422: new constraints on the physical structure

Context. The low mass protostar IRAS16293-2422 is a prototype Class 0 source in studies of the chemical structure during the initial phases of life of solar type stars. Aims. To derive the chemical structure accurately, a precise determination of the source physical structure is required. The goal of this study is to derive the structure of IRAS16293-2422. Methods. We reanalyzed all available continuum data (single dish and interferometric, from millimeter to MIR) to derive accurate density and dust temperature profiles. Using ISO observations of water, we also reconstructed the gas temperature profile. Results. Our analysis shows that the envelope surrounding IRAS16293-2422 is described well by the Shu “inside-out” collapsing envelope model or a single power-law density profile with index equal to 1.8. In contrast to some previous studies, our analysis does not show evidence of a large (≥800 AU in diameter) cavity. Conclusions. Although IRAS16293-2422 is a multiple system composed of two or three objects, our reconstruction will be useful in deriving the chemical structure of the large cold envelope surrounding these objects and the warm component, treated here as a single source, from single-dish observations of molecular emission.

Ortho-to-para ratio of interstellar heavy water

Context. Despite the low elemental deuterium abundance in the Galaxy, enhanced molecular D/H ratios have been found in the environments of low-mass star-forming regions, and in particular the Class 0 protostar IRAS 16293-2422. Aims. The CHESS (Chemical HErschel Surveys of Star forming regions) key program aims to study the molecular complexity of the interstellar medium. The high sensitivity and spectral resolution of the Herschel/HIFI instrument provide a unique opportunity to observe the fundamental 1(1,1)-0(0,0) transition of the ortho-D2O molecule, which is inaccessible from the ground, and determine the ortho-to-para D2O ratio. Methods. We detected the fundamental transition of the ortho-D2O molecule at 607.35 GHz towards IRAS 16293-2422. The line is seen in absorption with a line opacity of 0.62 +/- 0.11 (1 sigma). From the previous ground-based observations of the fundamental 1(1,0)-1(0,1) transition of para-D2O seen in absorption at 316.80 GHz, we estimate a line opacity of 0.26 +/- 0.05 (1 sigma). Results. We show that the observed absorption is caused by the cold gas in the envelope of the protostar. Using these new observations, we estimate for the first time the ortho-to-para D2O ratio to be lower than 2.6 at a 3 sigma level of uncertainty, which should be compared with the thermal equilibrium value of 2:1.

Chemical study of intermediate-mass (IM) Class 0 protostars - CO depletion and N2H+ deuteration

Aims. We are carrying out a physical and chemical study of the protostellar envelopes in a representative sample of IM Class 0 protostars. In our first paper we determined the physical structure (density-temperature radial profiles) of the protostellar envelopes. Here, we study the CO depletion and N2H + deuteration. Methods. We observed the millimeter lines of C 18 O, C 17 O, N2H + and N2D + towards the protostars using the IRAM 30m telescope. Based on these observations, we derived the C 18 O, N2H + and N2D + radial abundance profiles across their envelopes using a radiative

First detection of ND in the solar-mass protostar IRAS16293-2422

Context. In the past decade, much progress has been made in characterising the processes leading to the enhanced deuterium fractionation observed in the ISM and in particular in the cold, dense parts of star forming regions such as protostellar envelopes. Very high molecular D/H ratios have been found for saturated molecules and ions. However, little is known about the deuterium fractionation in radicals, even though simple radicals often represent an intermediate stage in the formation of more complex, saturated molecules. The imidogen radical NH is such an intermediate species for the ammonia synthesis in the gas phase. Many of these light molecules however have their fundamental transitions in the submillimetre domain and their detection is hampered by the opacity of the atmosphere at these wavelengths. Herschel/HIFI represents a unique opportunity to study the deuteration and formation mechanisms of species not observable from the ground. Aims: We searched here for the deuterated radical ND in order to determine the deuterium fractionation of imidogen and constrain the deuteration mechanism of this species. Methods: We observed the solar-mass Class 0 protostar IRAS16293-2422 with the heterodyne instrument HIFI in Bands 1a (480-560 GHz), 3b (858-961 GHz), and 4a (949-1061 GHz) as part of the Herschel key programme CHESS (Chemical HErschel Survey of Star forming regions). Results: The deuterated form of the imidogen radical ND was detected and securely identified with 2 hyperfine component groups of its fundamental transition (N = 0-1) at 522.1 and 546.2 GHz, in absorption against the continuum background emitted from the nascent protostar. The 3 groups of hyperfine components of its hydrogenated counterpart NH were also detected in absorption. The absorption arises from the cold envelope, where many deuterated species have been shown to be abundant. The estimated column densities are ~2 × 1014 cm-2 for NH and ~ 1.3 × 1014 cm-2 for ND. We derive a very high deuterium fractionation with an [ND]/[NH] ratio of between 30 and 100%. Conclusions: The deuterium fractionation of imidogen is of the same order of magnitude as that in other molecules, which suggests that an efficient deuterium fractionation mechanism is at play. We discuss two possible formation pathways for ND, by means of either the reaction of N+ with HD, or deuteron/proton exchange with NH. Herschel is an ESA space observatory with science instruments provided by European-led principal Investigator consortia and with important participation from NASA.

The distribution of water in the high-mass star-forming region NGC 6334 I

Aims: We present observations of twelve rotational transitions of H_216O, H_218O, and H_217O toward the massive star-forming region NGC 6334 I, carried out with Herschel/HIFI as part of the guaranteed time key program Chemical HErschel Surveys of Star forming regions (CHESS). We analyze these observations to obtain insights into physical processes in this region. Methods: We identify three main gas components (hot core, cold foreground, and outflow) in NGC 6334 I and derive the physical conditions in these components. Results: The hot core, identified by the emission in highly excited lines, shows a high excitation temperature of ~200 K, whereas water in the foreground component is predominantly in the ortho- and para- ground states. The abundance of water varies between 4 × 10-5 (outflow) and 10-8 (cold foreground gas). This variation is most likely due to the freeze-out of water molecules onto dust grains. The H_218O/H_217O abundance ratio is 3.2, which is consistent with the 18O/17O ratio determined from CO isotopologues. The ortho/para ratio in water appears to be relatively low (1.6±1) in the cold, quiescent gas, but close to the equilibrium value of three in the warmer outflow material (2.5±0.8). Herschel is an ESA space observatory with science instruments provided by European-led principal Investigator consortia and with important participation from NASA.Figures 1, 2 and 3 and Tables 2-4 (pages 5 to 6) are only available in electronic form at http://www.aanda.org

The CHESS spectral survey of star forming regions: Peering into the protostellar shock L1157-B1. I. Shock chemical complexity

We present the first results of the unbiased survey of the L1157-B1 bow shock, obtained with HIFI in the framework of the key program Chemical Herschel surveys of star forming regions (CHESS). The L1157 outflow is driven by a low-mass Class 0 protostar and is considered the prototype of the so-called chemically active outflows. The bright blue-shifted bow shock B1 is the ideal laboratory for studying the link between the hot (around 1000-2000 K) component traced by H2 IR-emission and the cold (around 10-20 K) swept-up material. The main aim is to trace the warm gas chemically enriched by the passage of a shock and to infer the excitation conditions in L1157-B1. A total of 27 lines are identified in the 555-636 GHz region, down to an average 3 sigma level of 30 mK. The emission is dominated by CO(5-4) and H2O(110-101) transitions, as discussed by Lefloch et al. (2010). Here we report on the identification of lines from NH3, H2CO, CH3OH, CS, HCN, and HCO+. The comparison between the profiles produced by molecules released from dust mantles (NH3, H2CO, CH3OH) and that of H2O is consistent with a scenario in which water is also formed in the gas-phase in high-temperature regions where sputtering or grain-grain collisions are not efficient. The high excitation range of the observed tracers allows us to infer, for the first time for these species, the existence of a warm (> 200 K) gas component coexisting in the B1 bow structure with the cold and hot gas detected from ground.We present the first results of the unbiased survey of the L1157-B1 bow shock, obtained with HIFI in the framework of the key program Chemical HErschel Survey of Star forming regions (CHESS). The L1157 outflow is driven by a low-mass Class 0 protostar and is considered the prototype of the so-called chemically active outflows. The bright blue-shifted bow shock B1 is the ideal laboratory for studying the link between the hot (∼1000‐ 2000 K) component traced by H2 IR-emission and the cold (∼10‐20 K) swept-up material. The main aim is to trace the warm gas chemically enriched by the passage of a shock and to infer the excitation conditions in L1157-B1. A total of 27 lines are identified in the 555‐636 GHz region, down to an average 3σ level of 30 mK. The emission is dominated by CO(5‐4) and H2O(110‐101) transitions, as discussed by Lefloch et al. in this volume. Here we report on the identification of lines from NH3 ,H 2CO, CH3OH, CS, HCN, and HCO + . The comparison between the profiles produced by molecules released from dust mantles (NH3 ,H 2CO, CH3OH) and that of H2O is consistent with a scenario in which water is also formed in the gas-phase in high-temperature regions where sputtering or grain-grain collisions are not efficient. The high excitation range of the observed tracers allows us to infer, for the first time for these species, the existence of a warm (≥200 K) gas component coexisting in the B1 bow structure with the cold and hot gas detected from ground.

The CHESS spectral survey of star forming regions : Peering into the protostellar shock L1157-B1. II. Shock dynamics

Context. The outflow driven by the low-mass class 0 protostar L1157 is the prototype of the so-called chemically active outflows. The bright bowshock B1 in the southern outflow lobe is a privileged testbed of magneto-hydrodynamical (MHD) shock models, for which dynamical and chemical processes are strongly interdependent. Aims: We present the first results of the unbiased spectral survey of the L1157-B1 bowshock, obtained in the framework of the key program “Chemical HErschel Surveys of star forming regions” (CHESS). The main aim is to trace the warm and chemically enriched gas and to infer the excitation conditions in the shock region. Methods: The CO 5-4 and o-H2O 110-101 lines have been detected at high-spectral resolution in the unbiased spectral survey of the HIFI-band 1b spectral window (555-636 GHz), presented by Codella et al. in this volume. Complementary ground-based observations in the submm window help establish the origin of the emission detected in the main-beam of HIFI and the physical conditions in the shock. Results: Both lines exhibit broad wings, which extend to velocities much higher than reported up to now. We find that the molecular emission arises from two regions with distinct physical conditions : an extended, warm (100 K), dense (3 × 105 cm-3) component at low-velocity, which dominates the water line flux in Band 1; a secondary component in a small region of B1 (a few arcsec) associated with high-velocity, hot (>400 K) gas of moderate density ((1.0-3.0) × 104 cm-3), which appears to dominate the flux of the water line at 179μm observed with PACS. The water abundance is enhanced by two orders of magnitude between the low- and the high-velocity component, from 8 × 10-7 up to 8 × 10-5. The properties of the high-velocity component agree well with the predictions of steady-state C-shock models. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.