We investigate deuterium chemistry coupled with the nuclear spin-state chemistry of H$_2$ and H$_3^+$ in protoplanetary disks. Multiple paths of deuterium fractionation are found; exchange reactions with D atoms, such as HCO$^+$ + D, are effective in addition to those with HD. In a disk model with grain sizes appropriate for dark clouds, the freeze-out of molecules is severe in the outer midplane, while the disk surface is shielded from UV radiation. Gaseous molecules, including DCO$^+$, thus become abundant at the disk surface, which tends to make their column density distribution relatively flat. If the dust grains have grown to millimeter size, the freeze-out rate of neutral species is reduced, and the abundances of gaseous molecules, including DCO$^+$ and N$_2$D$^+$, are enhanced in the cold midplane. Turbulent diffusion transports D atoms and radicals at the disk surface to the midplane, and stable ice species in the midplane to the disk surface. The effects of turbulence on chemistry are thus multifold; while DCO$^+$ and N$_2$D$^+$ abundances increase or decrease depending on the regions, HCN and DCN in the gas and ice are much reduced at the innermost radii, compared with the model without turbulence. When cosmic rays penetrate the disk, the ortho-to-para ratio (OPR) of H$_2$ is found to be thermal in the disk, except in the cold ($\lesssim 10$ K) midplane. We also analyze the OPR of H$_3^+$ and H$_2$D$^+$, as well as the main reactions of H$_2$D$^+$, DCO$^+$, and N$_2$D$^+$ to analytically derive their abundances in the cold midplane.
We have performed a pointed survey of N2D+ 2-1 and N2D+ 3-2 emission toward 64 N2H+-bright starless and protostellar cores in the Perseus molecular cloud using the Arizona Radio Observatory Submillimeter Telescope and Kitt Peak 12 m telescope. We find a mean deuterium fractionation in N2H+, R_D = N(N2D+)/N(N2H+), of 0.08, with a maximum R_D = 0.2. In detected sources, we find no significant difference in the deuterium fractionation between starless and protostellar cores, nor between cores in clustered or isolated environments. We compare the deuterium fraction in N2H+ with parameters linked t…
High levels of deuterium fractionation in gas-phase molecules are usually associated with cold regions, such as prestellar cores. Significant fractionation ratios are also observed in hot environments such as hot cores or hot corinos, where they are believed to be produced by the evaporation of the icy mantles surrounding dust grains, and thus are remnants of a previous cold (either gas-phase or grain surface) chemistry. The recent detection of DCN towards the Orion Bar, in a clump at a characteristic temperature of 70K, has shown that high deuterium fractionation can also be detected in PDRs.…
We present a survey of HCO+ (3-2) observations pointed towards dense cores with previous measurements of N(N2D+)/N(N2H+). Of the 26 cores in this survey, five show the spectroscopic signature of outward motion, nine exhibit neither inward nor outward motion, eleven appear to be infalling, and one is not detected. We compare the degree of deuterium fractionation with infall velocities calculated from the HCO+ spectra and find that those cores with [D]/[H] > 0.1 are more likely to have the signature of inward motions than cores with smaller [D]/[H] ratios. Infall motions are also much more commo…
Although chemical models predict that the deuterium fractionation in N$_2$H$^+$ is a good evolutionary tracer in the star formation process, the fractionation of nitrogen is still a poorly understood process. Recent models have questioned the similar evolutionary trend expected for the two fractionation mechanisms in N$_2$H$^+$, based on a classical scenario in which ion-neutral reactions occurring in cold gas should have caused an enhancement of the abundance of N$_2$D$^+$, $^{15}$NNH$^+$, and N$^{15}$NH$^+$. In the framework of the ASAI IRAM-30m large program, we have investigated the fracti…
Aims. We measure the deuterium fraction, RD, and the CO-depletion factor, fd, toward a number of starless and protostellar cores in the L1688 region of the Ophiuchus molecular cloud complex and search for variations based upon environmental differences across L1688. The kinematic properties of the dense gas traced by the N2H+ and N2D+ (1-0) lines are also discussed. Methods. RD has been measured via observations of the J=1-0 transition of N2H+ and N2D+ toward 33 dense cores in different regions of L1688. fd estimates have been done using C17O(1-0) and 850 micron dust continuum emission from th…
Understanding water deuterium fractionation is important for constraining the mechanisms of water formation in interstellar clouds. Observations of HDO and H$_2^{18}$O transitions were carried out towards the high-mass star-forming region G34.26+0.15 with the HIFI instrument onboard the Herschel Space Observatory, as well as with ground-based single-dish telescopes. Ten HDO lines and three H$_2^{18}$O lines covering a broad range of upper energy levels (22-204 K) were detected. We used a non-LTE 1D analysis to determine the HDO/H$_2$O ratio as a function of radius in the envelope. Models with …
We have observed the J=3-2 transition of N2H+ and N2D+ to investigate the trend of deuterium fractionation with evolutionary stage in three selected regions in the Infrared Dark Cloud (IRDC) G28.34+0.06 with the Submillimeter Telescope (SMT) and the Submillimeter Array (SMA). A comprehensible enhancement of roughly 3 orders of magnitude in deuterium fractionation over the local interstellar D/H ratio is observed in all sources. In particular, our sample of massive star-forming cores in G28.34+0.06 shows a moderate decreasing trend over a factor of 3 in the N(N2D+)/N(N2H+) ratio with evolutiona…
Observations of deuterated species are useful in probing the temperature, ionization level, evolutionary stage, chemistry, and thermal history of astrophysical environments. The analysis of data from ALMA and other new telescopes requires an elaborate model of deuterium fractionation. This paper presents a publicly available chemical network with multi-deuterated species and an extended, up-to-date set of gas-phase and surface reactions. To test this network, we simulate deuterium fractionation in diverse interstellar sources. Two cases of initial abundances are considered: i) atomic except fo…
(Abridged) The water deuterium fractionation (HDO/H$_2$O abundance ratio) has traditionally been used to infer the amount of water brought to Earth by comets. Measuring this ratio in deeply-embedded low-mass protostars makes it possible to probe the critical stage when water is transported from clouds to disks in which icy bodies are formed. We present sub-arcsecond resolution observations of HDO in combination with H$_2^{18}$O from the PdBI toward the three low-mass protostars NGC 1333-IRAS 2A, IRAS 4A-NW, and IRAS 4B. The resulting HDO/H$_2$O ratio is $7.4\pm2.1\times10^{-4}$ for IRAS 2A, $1…
The Solar System formed about 4.6 billion years ago from a condensation of matter inside a molecular cloud. Trying to reconstruct what happened is the goal of this chapter. For that, we put together our understanding of Galactic objects that will eventually form new suns and planetary systems, with our knowledge on comets, meteorites and small bodies of the Solar System today. Our specific tool is the molecular deuteration, namely the amount of deuterium with respect to hydrogen in molecules. This is the Ariadne's thread that helps us to find the way out from a labyrinth of possible histories …
Aims: The two stable isotopes of nitrogen, 14N and 15N, exhibit a range of abundance ratios both inside and outside the solar system. The elemental ratio in the solar neighborhood is 440. Recent ALMA observations showed HCN/HC15N ratios from 83 to 156 in six T Tauri and Herbig disks and a CN/C15 N ratio of 323 +/- 30 in one T Tauri star. We aim to determine the dominant mechanism responsible for these enhancements of 15N: low-temperature exchange reactions or isotope-selective photodissociation of N2. Methods: Using the thermochemical code DALI, we model the nitrogen isotope chemistry in circu…
High levels of deuterium fraction in N$_2$H$^+$ are observed in some pre-stellar cores. Single-zone chemical models find that the timescale required to reach observed values ($D_{\rm frac}^{{\rm N}_2{\rm H}^+} \equiv {\rm N}_2{\rm D}^+/{\rm N}_2{\rm H}^+ \gtrsim 0.1$) is longer than the free-fall time, possibly ten times longer. Here, we explore the deuteration of turbulent, magnetized cores with 3D magnetohydrodynamics simulations. We use an approximate chemical model to follow the growth in abundances of N$_2$H$^+$ and N$_2$D$^+$. We then examine the dynamics of the core using each tracer fo…
Organic material found in meteorites and interplanetary dust particles is enriched in D and 15N. This is consistent with the idea that the functional groups carrying these isotopic anomalies, nitriles and amines, were formed by ion-molecule chemistry in the protosolar nebula. Theoretical models of interstellar fractionation at low temperatures predict large enrichments in both D and 15N and can account for the largest isotopic enrichments measured in carbonaceous meteorites. However, more recent measurements have shown that, in some primitive samples, a large 15N enrichment does not correlate …
The deuterium fraction [N$_2$D$^+$]/[N$_2$H$^+$], may provide information about the ages of dense, cold gas structures, important to compare with dynamical models of cloud core formation and evolution. Here we introduce a complete chemical network with species containing up to three atoms, with the exception of the Oxygen chemistry, where reactions involving H$_3$O$^+$ and its deuterated forms have been added, significantly improving the consistency with comprehensive chemical networks. Deuterium chemistry and spin states of H$_2$ and H$_3^+$ isotopologues are included in this primarily gas-ph…
The Central Molecular Zone (CMZ) contains most of the mass of our Galaxy but its star formation rate is one order of magnitude lower than in the Galactic disc. This is likely related to the fact that the bulk of the gas in the CMZ is in a warm ($>$100 K) and turbulent phase with little material in the pre-stellar phase. We present in this Letter observations of deuterium fractionation (D/H ratios) of HCN, HNC, HCO$^{+}$, and N$_{2}$H$^{+}$ towards the CMZ molecular cloud G+0.693-0.027. These observations clearly show, for the first time, the presence of a colder, denser, and less turbulent nar…
Measuring the water deuterium fractionation in the inner warm regions of low-mass protostars has so far been hampered by poor angular resolution obtainable with single-dish ground- and space-based telescopes. Observations of water isotopologues using (sub)millimeter wavelength interferometers have the potential to shed light on this matter. Observations toward IRAS 16293-2422 of the 5(3,2)-4(4,1) transition of H2-18O at 692.07914 GHz from Atacama Large Millimeter/submillimeter Array (ALMA) as well as the 3(1,3)-2(2,0) of H2-18O at 203.40752 GHz and the 3(1,2)-2(2,1) transition of HDO at 225.89…
The surface formation of NH3 and its deuterated isotopologues - NH2D, NHD2, and ND3 - is investigated at low temperatures through the simultaneous addition of hydrogen and deuterium atoms to nitrogen atoms in CO-rich interstellar ice analogues. The formation of all four ammonia isotopologues is only observed up to 15 K, and drops below the detection limit for higher temperatures. Differences between hydrogenation and deuteration yields result in a clear deviation from a statistical distribution in favour of deuterium enriched species. The data analysis suggests that this is due to a higher sti…
We present the results of models of the chemistry, including deuterium, in the inner regions of protostellar disks. We find good agreement with recent gas phase observations of several (non--deuterated) species. We also compare our results with observations of comets and find that in the absence of other processing e.g. in the accretion shock at the surface of the disk, or by mixing in the disk, the calculated D/H ratios in ices are higher than measured and reflect the D/H ratio set in the molecular cloud phase. Our models give quite different abundances and molecular distributions to other in…
We have conducted the first extensive observational survey of several deuterated species in 16 Class 0/I proto-brown dwarfs (proto-BDs) and 4 Class Flat/Class II brown dwarfs. Observations were obtained with the IRAM 30m telescope in the DCO$^{+}$ (3-2), DCN (3-2), DNC (3-2), and N$_{2}$D$^{+}$ (3-2) lines. The DCO$^{+}$/H$^{13}$CO$^{+}$, DCN/H$^{13}$CN, and DNC/HN$^{13}$C ratios are comparatively higher and show a narrower range than the DCO$^{+}$/HCO$^{+}$, DCN/HCN, and DNC/HNC ratios, respectively. The mean D/H ratios for the proto-BDs derived from these molecules are in the range of $\sim$…
Formation and evolution of water in the Solar System and the origin of water on Earth constitute one of the most interesting questions in astronomy. The prevailing hypothesis for the origin of water on Earth is by delivery through water-rich small Solar system bodies. In this paper, the isotopic and chemical evolution of water during the early history of the solar nebula, before the onset of planetesimal formation, is studied. A gas-grain chemical model that includes multiply-deuterated species and nuclear spin-states is combined with a steady-state solar nebula model. To calculate initial abu…
Deuterated interstellar molecules frequently have abundances relative to their main isotopologues much higher than the overall elemental D-to-H ratio in the cold dense interstellar medium. The H$_3^+$ and its isotopologues play a key role in the deuterium fractionation; however, the abundances of these isotopologues have not been measured empirically with respect to H$_3^+$ to date. Our aim was to constrain the relative abundances of H$_2$D$^+$ and D$_3^+$ in the cold outer envelope of the hot core CRL 2136 IRS 1. We carried out three observations targeting H$_3^+$ and its isotopologues using …
Observations of deuterium fractionation in the solar system, and in interstellar and circumstellar material, are commonly used to constrain the formation environment of volatiles. Toward protoplanetary disks, this approach has been limited by the small number of detected deuterated molecules, i.e. DCO$^+$ and DCN. Based on ALMA Cycle 2 observations toward the disk around the T Tauri star AS 209, we report the first detection of N$_2$D$^+$ (J=3-2) in a protoplanetary disk. These data are used together with previous Submillimeter Array observations of N$_2$H$^+$ (J=3-2) to estimate a disk-averag…
This work aims to understand which midplane conditions are probed by the DCO$^+$ emission in the disk around the Herbig Ae star HD 169142. We explore the sensitivity of the DCO$^+$ formation pathways to the gas temperature and the CO abundance. The DCO$^+$ $J$=3-2 transition was observed with ALMA at a spatial resolution of 0.3". The HD 169142 DCO$^+$ radial intensity profile reveals a warm, inner component at radii <30 AU and a broad, ring-like structure from ~50-230 AU with a peak at 100 AU just beyond the millimeter grain edge. We modeled DCO$^+$ emission in HD 169142 with a physical disk s…
The standard interstellar ratio of deuterium to hydrogen (D/H) atoms is $\sim 1.5 \times 10^{-5}$. However, the deuterium fractionation is in fact found to be enhanced, to different degrees, in cold, dark cores, hot cores around massive star forming regions, lukewarm cores, and warm cores ({\it hereafter}, hot corinos) around low-mass star forming regions. In this paper, we investigate the overall differences in the deuterium chemistry between hot cores and hot corinos. We have modelled the chemistry of dense gas around low-mass and massive star forming regions using a gas-grain chemical model…
Deuterium-to-hydrogen (D/H) enrichments in molecular species provide clues about their original formation environment. The organic materials in primitive solar system bodies have generally higher D/H ratios and show greater D/H variation when compared to D/H in solar system water. We propose this difference arises at least in part due to 1) the availability of additional chemical fractionation pathways for organics beyond that for water, and 2) the higher volatility of key carbon reservoirs compared to oxygen. We test this hypothesis using detailed disk models, including a sophisticated, new d…
Only recently, OD, the deuterated isotopolog of hydroxyl, OH, has become accessible in the interstellar medium; spectral lines from both species have been observed in the supra-Terahertz and far infrared regime. Here we study rotational lines of OD and OH towards 13 Galactic high-mass star forming regions, with the aim to constrain the OD abundance and infer the deuterium fractionation of OH in their molecular envelopes. We used the Stratospheric Observatory for Infrared Astronomy (SOFIA) to observe the $^2Π_{3/2}$ $J=5/2-3/2$ ground-state transition of OD at 1.3 THz ($215~μ$m) and the rotatio…
The initial stage of star formation is a complex area study because of its high density and low temperature. Under such conditions, many molecules become depleted from the gas phase by freezing out onto dust grains. However, the deuterated species could remain gaseous and are thus ideal tracers. We investigate the gas dynamics and NH$_2$D chemistry in eight massive pre/protocluster clumps. We present NH$_2$D 1$_{11}$-1$_{01}$ (at 85.926 GHz), NH$_3$ (1, 1) and (2, 2) observations in the eight clumps using the PdBI and the VLA, respectively. We find that the distribution between deuterium fract…
The deuterium enrichment of molecules is sensitive to their formation environment. Constraining patterns of deuterium chemistry in protoplanetary disks is therefore useful for probing how material is inherited or reprocessed throughout the stages of star and planet formation. We present ALMA observations at $\sim0.6"$ resolution of DCO$^+$, H$^{13}$CO$^+$, DCN, and H$^{13}$CN in the full disks around T Tauri stars AS 209 and IM Lup, the transition disks around T Tauri stars V4046 Sgr and LkCa 15, and the full disks around Herbig Ae stars MWC 480 and HD 163296. We also present ALMA observations…
The deuterium fractionation of gas-phase molecules in hot cores is believed to reflect the composition of interstellar ices. The deuteration of methanol is a major puzzle, however, because the isotopologue ratio [CH2DOH]/[CH3OD], which is predicted to be equal to 3 by standard grain chemistry models, is much larger (~20) in low-mass hot corinos and significantly lower (~1) in high-mass hot cores. This dichotomy in methanol deuteration between low-mass and massive protostars is currently not understood. In this study, we report a simplified rate equation model of the deuterium chemistry occurri…
Molecular D/H ratios are frequently used to probe the chemical past of Solar System volatiles. Yet it is unclear which parts of the Solar Nebula hosted an active deuterium fractionation chemistry. To address this question, we present 0".2-0".4 ALMA observations of DCO+ and DCN 2-1, 3-2 and 4-3 towards the nearby protoplanetary disk around TW Hya, taken as part of the TW Hya Rosetta Stone project, augmented with archival data. DCO+ is characterized by an excitation temperature of ~40 K across the 70 au radius pebble disk, indicative of emission from a warm, elevated molecular layer. Tentatively…
[abridged] The enhanced degrees of deuterium fractionation observed in envelopes around protostars demonstrate the importance of chemistry at low temperatures, relevant in pre- and protostellar cores. formaldehyde is an important species in the formation of methanol and more complex molecules. Here, we present the first study of formaldehyde deuteration on small scales around the prototypical low-mass protostar IRAS 16293-2422 using high spatial and spectral resolution Atacama Large Millimeter/submillimeter Array (ALMA) observations. Numerous isotopologues of formaldehyde are detected, among t…
HCN is a commonly observed molecule in Solar System bodies and in interstellar environments. Its abundance with respect to CN is a proposed tracer of UV exposure. HCN is also frequently used to probe the thermal history of objects, by measuring its degree of nitrogen fractionation. To address the utility of HCN as a probe of disks, we present ALMA observations of CN, HCN, H13CN and HC15N toward the protoplanetary disk around Herbig Ae star MWC480, and of CN and HCN toward the disk around T Tauri star DM Tau. Emission from all molecules is clearly detected and spatially resolved, including the …
Deuterium fractionation is dependent on various physical and chemical parameters. Thus, the formation location and thermal history of material in the solar system is often studied by measuring its D/H ratio. This requires knowledge about the deuteration processes operating during the planet formation era. We aim to study these processes by radially resolving the DCN/HCN (at 0.3" resolution) and N$_2$D$^+$/N$_2$H$^+$ (0.3 to 0.9") column density ratios toward the five protoplanetary disks observed by the Molecules with ALMA at Planet-forming scales (MAPS) Large Program. DCN is detected in all f…
In this Letter we model the chemistry of DCO$^{+}$ in protoplanetary disks. We find that the overall distribution of the DCO$^{+}$ abundance is qualitatively similar to that of CO but is dominated by thin layer located at the inner disk surface. To understand its distribution, we investigate the different key gas-phase deuteration pathways that can lead to the formation of DCO$^{+}$. Our analysis shows that the recent update in the exothermicity of the reaction involving CH$_2$D$^{+}$ as a parent molecule of DCO$^{+}$ favors deuterium fractionation in warmer conditions. As a result the formati…
The volatile composition of a planet is determined by the inventory of gas and ice in the parent disk. The volatile chemistry in the disk is expected to evolve over time, though this evolution is poorly constrained observationally. We present ALMA observations of C18O, C2H, and the isotopologues H13CN, HC15N, and DCN towards five Class 0/I disk candidates. Combined with a sample of fourteen Class II disks presented in Bergner et al. (2019b), this data set offers a view of volatile chemical evolution over the disk lifetime. Our estimates of C18O abundances are consistent with a rapid depletion …
H$_2^{18}$O in the terrestrial planet-forming regions of protoplanetary disks
Vassar College（瓦萨学院）；Jet Propulsion Laboratory, California Institute of Technology（加州理工学院喷气推进实验室）；Division of Geological and Planetary Sciences, California Institute of Technology（加州理工学院地质与行星科学系）；Department of Astronomy, University of Wisconsin-Madison（威斯康星大学麦迪逊分校天文学系）；Center for Astrophysics, Harvard & Smithsonian（哈佛-史密森尼天体物理中心）；Department of Physics, Texas State University（德克萨斯州立大学物理系）；Weber State University（韦伯州立大学）；Department of Astronomy, University of Michigan（密歇根大学天文学系）；Astrophysics & Space Institute, Schmidt Sciences（施密特科学天体物理学与空间研究所）；Department of Physics and Astronomy, University of Exeter（埃克塞特大学物理与天文系）；Department of Astronomy, University of Maryland（马里兰大学天文学系）
The widespread rings and gaps seen in the dust continuum in protoplanetary disks are sometimes accompanied by similar substructures seen in molecular line emission. One example is the outer gap at 100 au in AS 209, which shows that the H$_{13}$CO$^+$ and C$_{18}$O emission intensities decrease along with the continuum in the gap, while the DCO$^+$ emission increases inside the gap. We aim to study the behavior of DCO$^+$/H$_{13}$CO$^+$ and DCO$^+$/HCO$^+$ ratios in protoplanetary disk gaps assuming the two scenarios: the gas depletion follows the dust depletion and only the dust is depleted. W…
Identifying the source of Earth's water is central to understanding the origins of life-fostering environments and to assessing the prevalence of such environments in space. Water throughout the solar system exhibits deuterium-to-hydrogen enrichments, a fossil relic of low-temperature, ion-derived chemistry within either (i) the parent molecular cloud or (ii) the solar nebula protoplanetary disk. Utilizing a comprehensive treatment of disk ionization, we find that ion-driven deuterium pathways are inefficient, curtailing the disk's deuterated water formation and its viability as the sole sourc…
Analyses of primitive meteorites and cometary samples have shown that the solar nebula must have experienced a phase of large-scale outward transport of small refractory grains as well as homogenization of initially spatially heterogeneous short-lived isotopes. The stable oxygen isotopes, however, were able to remain spatially heterogenous at the $\sim$ 6% level. One promising mechanism for achieving these disparate goals is the mixing and transport associated with a marginally gravitationally unstable (MGU) disk, a likely cause of FU Orionis events in young low-mass stars. Several new sets of…
Protoplanetary disks around young stars are the sites of planet formation. While the dust mass can be estimated using standard methods, determining the gas mass - and thus the amount of material available to form giant planets - has proven to be very difficult. Hydrogen deuteride (HD) is a promising alternative to the commonly-used gas mass tracer, CO. We aim to examine the robustness of HD as tracer of the disk gas mass, specifically the effect of gas mass on the HD FIR emission and its sensitivity to the vertical structure. Deuterium chemistry reactions relevant for HD were implemented in th…
First detection of HDO ice in a protoplanetary disk
Friedrich Schiller University Jena（耶拿弗里德里希·席勒大学）；Max Planck Institute for Astronomy（马克斯·普朗克天文学研究所）；NASA Ames Research Center（美国宇航局艾姆斯研究中心）；National Astronomical Observatory of Japan, National Institutes of Natural Sciences (NINS)（日本国立天文台，国立自然科学研究院）；Leiden University（莱顿大学）
Hydrogen deuteride (HD) rotational line emission can provide reliable protoplanetary disk gas mass measurements, but it is difficult to observe and detections have been limited to three T-Tauri disks. No new data have been available since the \emph{Herschel} Space Observatory mission ended in 2013. We set out to obtain new disk gas mass constraints by analysing upper limits on HD 1-0 emission in \emph{Herschel}/PACS archival data from the DIGIT key programme. With a focus on the Herbig Ae/Be disks, whose stars are more luminous than T Tauris, we determine upper limits for HD in data previosly …
