arXiv subjects

José Cernicharo

Publications and source records attributed to José Cernicharo.

At least 37 records · Page 2Linked to original sources

arXiv2020

Silicon and hydrogen chemistry under laboratory conditions mimicking the atmosphere of evolved stars

Silicon is present in interstellar dust grains, meteorites and asteroids, and to date thirteen silicon-bearing molecules have been detected in the gas-phase towards late-type stars or molecular clouds, including silane and silane derivatives. In this work, we have experimentally studied the interaction between atomic silicon and hydrogen under physical conditions mimicking those at the atmosphere of evolved stars. We have found that the chemistry of Si, H and H$_2$ efficiently produces silane (SiH$_4$), disilane (Si$_2$H$_6$) and amorphous hydrogenated silicon (a-Si:H) grains. Silane has been definitely detected towards the carbon-rich star IRC\,+10216, while disilane has not been detected in space yet. Thus, based on our results, we propose that gas-phase reactions of atomic Si with H and H$_2$ are a plausible source of silane in C-rich AGBs, although its contribution to the total SiH$_4$ abundance may be low in comparison with the suggested formation route by catalytic reactions on the surface of dust grains. In addition, the produced a-Si:H dust analogs decompose into SiH$_4$ and Si$_2$H$_6$ at temperatures above 500 K, suggesting an additional mechanism of formation of these species in envelopes around evolved stars. We have also found that the exposure of these dust analogs to water vapor leads to the incorporation of oxygen into Si-O-Si and Si-OH groups at the expense of SiH moieties, which implies that, if this type of grains are present in the interstellar medium, they will be probably processed into silicates through the interaction with water ices covering the surface of dust grains.

astro-ph.GA↗

arXiv2020

The chemistry of cosmic dust analogues from C, C$_2$, and C$_2$H$_2$ in C-rich circumstellar envelopes

Interstellar carbonaceous dust is mainly formed in the innermost regions of circumstellar envelopes around carbon-rich asymptotic giant branch (AGB) stars. In these highly chemically stratified regions, atomic and diatomic carbon, along with acetylene are the most abundant species after H$_2$ and CO. In a previous study, we addressed the chemistry of carbon (C and C$_2$) with H$_2$ showing that acetylene and aliphatic species form efficiently in the dust formation region of carbon-rich AGBs whereas aromatics do not. Still, acetylene is known to be a key ingredient in the formation of linear polyacetylenic chains, benzene and polycyclic aromatic hydrocarbons (PAHs), as shown by previous experiments. However, these experiments have not considered the chemistry of carbon (C and C$_2$) with C$_2$H$_2$. In this work, by employing a sufficient amount of acetylene, we investigate its gas-phase interaction with atomic and diatomic carbon. We show that the chemistry involved produces linear polyacetylenic chains, benzene and other PAHs, which are observed with high abundances in the early evolutionary phase of planetary nebulae. More importantly, we have found a non-negligible amount of pure and hydrogenated carbon clusters as well as aromatics with aliphatic substitutions, both being a direct consequence of the addition of atomic carbon. The incorporation of alkyl substituents into aromatics can be rationalized by a mechanism involving hydrogen abstraction followed by methyl addition. All the species detected in gas phase are incorporated into the nanometric sized dust analogues, which consist of a complex mixture of sp, sp$^2$ and sp$^3$ hydrocarbons with amorphous morphology.

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arXiv2019

Oxygen fractionation in dense molecular clouds

We have developed the first gas-grain chemical model for oxygen fractionation (also including sulphur fractionation) in dense molecular clouds, demonstrating that gas-phase chemistry generates variable oxygen fractionation levels, with a particularly strong effect for NO, SO, O2, and SO2. This large effect is due to the efficiency of the neutral 18O + NO, 18O + SO, and 18O + O2 exchange reactions. The modeling results were compared to new and existing observed isotopic ratios in a selection of cold cores. The good agreement between model and observations requires that the gas-phase abundance of neutral oxygen atoms is large in the observed regions. The S16O/S18O ratio is predicted to vary substantially over time showing that it can be used as a sensitive chemical proxy for matter evolution in dense molecular clouds.

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arXiv2018

Chemical segregation of complex organic O-bearing species in Orion KL

We investigate the chemical segregation of complex O-bearing species (including the largest and most complex ones detected to date in space) towards Orion KL, the closest high-mass star-forming region. The molecular line images obtained using the ALMA science verification data reveal a clear segregation of chemically related species depending on their different functional groups. We map the emission of 13CH3OH, HCOOCH3, CH3OCH3, CH2OCH2, CH3COOCH3, HCOOCH2CH3, CH3CH2OCH3, HCOOH, OHCH2CH2OH, CH3COOH, CH3CH2OH, CH3OCH2OH, OHCH2CHO, and CH3COCH3 with 1.5" angular resolution and provide molecular abundances of these species toward different gas components of this region. We disentangle the emission of these species in the different Orion components by carefully selecting lines free of blending and opacity effects. Possible effects in the molecular spatial distribution due to residual blendings and different excitation conditions are also addressed. We find that while species containing the C-O-C group, i.e. an ether group, exhibit their peak emission and higher abundance towards the compact ridge, the hot core south is the component where species containing a hydroxyl group (-OH) bound to a carbon atom (C-O-H) present their emission peak and higher abundance. This finding allows us to propose methoxy (CH3O-) and hydroxymethyl (-CH2OH) radicals as the major drivers of the chemistry in the compact ridge and the hot core south, respectively, as well as different evolutionary stages and prevailing physical processes in the different Orion components.

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arXiv2018

Formation and destruction of SiS in space

The presence of SiS in space seems to be restricted to a few selected types of astronomical environments. It is long known to be present in circumstellar envelopes around evolved stars and it has also been detected in a handful of star-forming regions with evidence of outflows, like Sgr\,B2, Orion\,KL and more recently L1157-B1. The kinetics of reactions involving SiS is very poorly known and here we revisit the chemistry of SiS in space by studying some potentially important reactions of formation and destruction of this molecule. We calculated {\it ab initio} potential energy surfaces of the SiOS system and computed rate coefficients in the temperature range 50-2500 K for the reaction of destruction of SiS, in collisions with atomic O, and of its formation, through the reaction between Si and SO. We find that both reactions are rapid, with rate coefficients of a few times 10$^{-10}$ cm$^3$ s$^{-1}$, almost independent of temperature. In the reaction between Si and SO, SiO production is 5-7 times more efficient than SiS formation. The reaction of SiS with O atoms can play an important role in destroying SiS in envelopes around evolved stars. We built a simple chemical model of a postshock gas to study the chemistry of SiS in protostellar outflows and we found that SiS forms with a lower abundance and later than SiO, that SiS is efficiently destroyed through reaction with O, and that the main SiS-forming reactions are Si + SO and Si + SO$_2$.

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arXiv2018

Photoevaporating PDR models with the Hydra PDR Code

Recent Herschel and ALMA observations of Photodissociation Regions (PDRs) have revealed the presence of a high thermal pressure (P ~ 10^7-10^8 K cm-3) thin compressed layer at the PDR surface where warm molecular tracer emission (e.g. CH+, SH+, high-J CO, H2,...) originate. These high pressures (unbalanced by the surrounding environment) and a correlation between pressure and incident FUV field (G0) seem to indicate a dynamical origin with the radiation field playing an important role in driving the dynamics. We investigate whether photoevaporation of the illuminated edge of a molecular cloud could explain these high pressures and pressure-UV field correlation. We developed a 1D hydrodynamical PDR code coupling hydrodynamics, EUV and FUV radiative transfer and time-dependent thermo-chemical evolution. We applied it to a 1D plane-parallel photoevaporation scenario where a UV-illuminated molecular cloud can freely evaporate in a surrounding low-pressure medium. We find that photoevaporation can produce high thermal pressures and the observed P-G0 correlation, almost independently from the initial gas density. In addition, we find that constant-pressure PDR models are a better approximation to the structure of photoevaporating PDRs than constant-density PDR models, although moderate pressure gradients are present. Strong density gradients from the molecular to the neutral atomic region are found, which naturally explain the large density contrasts (1-2 orders of magnitude) derived from observations of different tracers. The photoevaporating PDR is preceded by a low velocity shock (a few km/s) propagating into the molecular cloud. Photoevaporating PDR models offer a promising explanation to the recent observational evidence of dynamical effects in PDRs.

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arXiv2017

Laboratory measurements and astronomical search for cyanomethanimine

C-cyanomethanimine (HNCHCN), existing in the two $Z$ and $E$ isomeric forms, is a key prebiotic molecule, but, so far, only the $E$ isomer has been detected toward the massive star-forming region. Sagittarius B2(N) using transitions in the radio wavelength domain. With the aim of detecting HNCHCN in Sun-like-star forming regions, the laboratory investigation of its rotational spectrum has been extended to the millimeter-/submillimeter-wave (mm-/submm-) spectral window in which several unbiased spectral surveys have been already carried out. High-resolution laboratory measurements of the rotational spectrum of C-cyanomethanimine were carried out in the 100-420 GHz range using a frequency-modulation absorption spectrometer. We then searched for the C-cyanomethanimine spectral features in the mm-wave range using the high-sensitivity and unbiased spectral surveys obtained with the IRAM 30-m antenna in the ASAI context, the earliest stages of star formation from starless to evolved Class I objects being sampled. For both the $Z$ and $E$ isomers, the spectroscopic work has led to an improved and extended knowledge of the spectroscopic parameters, thus providing accurate predictions of the rotational signatures up to $\sim$700 GHz. So far, no C-cyanomethanimine emission has been detected toward the ASAI targets, and upper limits of the column density of $\sim$ 10$^{11}$--10$^{12}$ cm$^{-2}$ could only be derived. Consequently, the C-cyanomethanimine abundances have to be less than a few 10$^{-10}$ for starless and hot-corinos. A less stringent constraint, $\leq$ 10$^{-9}$, is obtained for shocks sites. The combination of the upper limits of the abundances of C-cyanomethanimine together with accurate laboratory frequencies up to $\sim$ 700 GHz poses the basis for future higher sensitivity searches around Sun-like-star forming regions.

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arXiv2017

Chemical segregation in the young protostars Barnard 1b-N and S: evidence of pseudo-disk rotation in Barnard 1b-S

The extremely young Class 0 object B1b-S and the first hydrostatic core (FSHC) candidate, B1b-N, provide a unique opportunity to study the chemical changes produced in the elusive transition from the prestellar core to the protostellar phase. We present 40"x70" images of Barnard 1b in the 13CO 1->0, C18O 1->0, NH2D 1_{1,1}a->1_{0,1}s, and SO 3_2->2_1 lines obtained with the NOEMA interferometer. The observed chemical segregation allows us to unveil the physical structure of this young protostellar system down to scales of ~500au. The two protostellar objects are embedded in an elongated condensation, with a velocity gradient of ~0.2-0.4 m s^{-1} au^{-1} in the east-west direction, reminiscent of an axial collapse. The NH2D data reveal cold and dense pseudo-disks (R~500-1000 au) around each protostar. Moreover, we observe evidence of pseudo-disk rotation around B1b-S. We do not see any signature of the bipolar outflows associated with B1b-N and B1b-S, which were previously detected in H2CO and CH3OH, in any of the imaged species. The non-detection of SO constrains the SO/CH3OH abundance ratio in the high-velocity gas.

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arXiv2017

Probing the cold dust emission in the AB Aur disk: a dust trap in a decaying vortex?

One serious challenge for planet formation is the rapid inward drift of pebble-sized dust particles in protoplanetary disks. Dust trapping at local maxima in the disk gas pressure has received much theoretical attention but still lacks observational support. The cold dust emission in the AB Aur disk forms an asymmetric ring at a radius of about 120 au, which is suggestive of dust trapping in a gas vortex. We present high spatial resolution (0".58x0".78 ~ 80x110 au) NOEMA observations of the 1.12 mm and 2.22 mm dust continuum emission from the AB Aur disk. Significant azimuthal variations of the flux ratio at both wavelengths indicate a size segregation of the large dust particles along the ring. Our continuum images also show that the intensity variations along the ring are smaller at 2.22 mm than at 1.12 mm, contrary to what dust trapping models with a gas vortex have predicted. Our two-fluid (gas+dust) hydrodynamical simulations demonstrate that this feature is well explained if the gas vortex has started to decay due to turbulent diffusion, and dust particles are thus losing the azimuthal trapping on different timescales depending on their size. The comparison between our observations and simulations allows us to constrain the size distribution and the total mass of solid particles in the ring, which we find to be of the order of 30 Earth masses, enough to form future rocky planets.

astro-ph.EP↗

arXiv2016

The high resolution infrared spectrum of HCl$^+$

The chloroniumyl cation, HCl$^+$, has been recently identified in space from Herschel's spectra. A joint analysis of extensive vis-UV spectroscopy emission data together with a few high resolution and high accuracy mm-wave data provided the necessary rest frequencies to support the astronomical identification. Nevertheless, the analysis did not include any infrared vibration-rotation data. Furthermore, with the end of the Herschel mission, infrared observations from ground may be one of the few available means to further study this ion in space. In this work we provide a set of accurate rovibrational transition wavenumbers as well as a new and improved global fit of vis-UV, IR and mm-wave spectroscopy laboratory data, that will aid in future studies of this molecule.

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arXiv2015

The interstellar chemistry of H2C3O isomers

We present the detection of two H2C3O isomers, propynal and cyclopropenone, toward various starless cores and molecular clouds, together with upper limits for the third isomer propadienone. We review the processes controlling the abundances of H2C3O isomers in interstellar media showing that the reactions involved are gas-phase ones. We show that the abundances of these species are controlled by kinetic rather than thermodynamic effects.

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arXiv2014

Revised spectroscopic parameters of SH$^+$ from ALMA and IRAM 30 m observations

Hydrides represent the first steps of interstellar chemistry. Sulfanylium (SH$^+$), in particular, is a key tracer of energetic processes. We used ALMA and the IRAM 30 m telescope to search for the lowest frequency rotational lines of SH$^+$ toward the Orion Bar, the prototypical photo-dissociation region illuminated by a strong UV radiation field. On the basis of previous $Herschel$/HIFI observations of SH$^+$, we expected to detect emission of the two SH$^+$ hyperfine structure (HFS) components of the $N_J = 1_0 - 0_1$ fine structure (FS) component near 346 GHz. While we did not observe any lines at the frequencies predicted from laboratory data, we detected two emission lines, each $\sim$15 MHz above the SH$^+$ predictions and with relative intensities and HFS splitting expected for SH$^+$. The rest frequencies of the two newly detected lines are more compatible with the remainder of the SH$^+$ laboratory data than the single line measured in the laboratory near 346 GHz and previously attributed to SH$^+$. Therefore, we assign these new features to the two SH$^+$ HFS components of the $N_J = 1_0 - 0_1$ FS component and re-determine its spectroscopic parameters, which will be useful for future observations of SH$^+$, in particular if its lowest frequency FS components are studied. Our observations demonstrate the suitability of these lines for SH$^+$ searches at frequencies easily accessible from the ground.

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arXiv2014

New molecules in IRC+10216: confirmation of C$_5$S and tentative identification of MgCCH, NCCP, and SiH$_3$CN

The C-star envelope IRC+10216 harbors a rich variety of molecules, with more than 80 detected to date. During the course of a $λ$ 3 mm survey of IRC+10216 carried out with the IRAM 30-m telescope we have detected various weak lines, with antenna temperatures of a few mK, that we assign to rotational transitions of four new molecules. The observation of three lines of C$_5$S confirms a previous tentative identification of this molecule by Bell et al. (1993) based on a line at 24.0 GHz. We also report the tentative identification of three molecules not yet observed in space: MgCCH, the first metal acetylide detected in space, and NCCP and SiH$_3$CN, the phosphorus and silicon analogs of cyanogen (NCCN) and methyl cyanide (CH$_3$CN). We derive the following column densities: $N$(C$_5$S) = (2-14) $\times$ 10$^{12}$ cm$^{-2}$ (depending on the rotational temperature adopted), $N$(MgCCH) = 2 $\times$ 10$^{12}$ cm$^{-2}$, $N$(NCCP) = 7 $\times$ 10$^{11}$ cm$^{-2}$, and $N$(SiH$_3$CN) = 10$^{12}$ cm$^{-2}$. The S-bearing carbon chain C$_5$S is less abundant than C$_3$S, while MgCCH has an abundance in between that of MgNC and those of MgCN and HMgNC. On the other hand, NCCP and SiH$_3$CN are the least abundant P- and Si-bearing molecules observed to date in IRC+10216. Based on the behavior of similar molecules it is likely that these four species are formed in the outer circumstellar layers of IRC+10216. We discuss possible gas-phase formation routes.

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arXiv2014

Herschel observations of EXtra-Ordinary Sources: Analysis of the HIFI 1.2 THz Wide Spectral Survey Toward Orion KL I. Methods

We present a comprehensive analysis of a broad band spectral line survey of the Orion Kleinmann-Low nebula (Orion KL), one of the most chemically rich regions in the Galaxy, using the HIFI instrument on board the Herschel Space Observatory. This survey spans a frequency range from 480 to 1907 GHz at a resolution of 1.1 MHz. These observations thus encompass the largest spectral coverage ever obtained toward this high-mass star-forming region in the sub-mm with high spectral resolution, and include frequencies $>$ 1 THz where the Earth's atmosphere prevents observations from the ground. In all, we detect emission from 39 molecules (79 isotopologues). Combining this dataset with ground based mm spectroscopy obtained with the IRAM 30 m telescope, we model the molecular emission from the mm to the far-IR using the XCLASS program which assumes local thermodynamic equilibrium (LTE). Several molecules are also modeled with the MADEX non-LTE code. Because of the wide frequency coverage, our models are constrained by transitions over an unprecedented range in excitation energy. A reduced $χ^{2}$ analysis indicates that models for most species reproduce the observed emission well. In particular, most complex organics are well fit by LTE implying gas densities are high ($>$10$^6$ cm$^{-3}$) and excitation temperatures and column densities are well constrained. Molecular abundances are computed using H$_{2}$ column densities also derived from the HIFI survey. The distribution of rotation temperatures, $T_{\rm rot}$, for molecules detected toward the hot core is significantly wider than the compact ridge, plateau, and extended ridge $T_{\rm rot}$ distributions, indicating the hot core has the most complex thermal structure.

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arXiv2013

Herschel/HIFI search for H2-17O and H2-18O in IRC+10216: constraints on models for the origin of water vapor

We report the results of a sensitive search for the minor isotopologues of water, H2-17O and H2-18O, toward the carbon-rich AGB star IRC+10216 (a.k.a. CW Leonis) using the HIFI instrument on the Herschel Space Observatory. This search was motivated by the fact that any detection of isotopic enhancement in the H2-17O and H2-18O abundances would have strongly implicated CO photodissociation as the source of the atomic oxygen needed to produce water in a carbon-rich circumstellar envelope. Our observations place an upper limit of 1/470 on the H2-17O/H2-16O abundance ratio. Given the isotopic 17O/16O ratio of 1/840 inferred previously for the photosphere of IRC+10216, this result places an upper limit of a factor 1.8 on the extent of any isotope-selective enhancement of H2-17O in the circumstellar material, and provides an important constraint on any model that invokes CO photodissociation as the source of O for H2O production. In the context of the clumpy photodissociation model proposed previously for the origin of water in IRC+10216, our limit implies that 12C-16O (not 13C-16O or SiO) must be the dominant source of 16O for H2O production, and that the effects of self-shielding can only have reduced the 12C-16O photodissociation rate by at most a factor ~ 2.

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arXiv2012

A complete model of CH+ rotational excitation including radiative and chemical pumping processes

Aims. Excitation of far-infrared and submillimetric molecular lines may originate from nonreactive collisions, chemical formation, or far infrared, near-infrared, and optical fluorescences. As a template, we investigate the impact of each of these processes on the excitation of the methylidyne cation CH+ and on the intensities of its rotational transitions recently detected in emission in dense photodissociation regions (PDRs) and in planetary nebulae. Methods. We have developed a nonlocal thermodynamic equilibrium (non-LTE) excitation model that includes the entire energy structure of CH+, i.e. taking into account the pumping of its vibrational and bound and unbound electronic states by near-infrared and optical photons. The model includes the theoretical cross-sections of nonreactive collisions with H, H2, He, and e-, and a Boltzmann distribution is used to describe the probability of populating the excited levels of CH+ during its chemical formation by hydrogenation of C+. To confirm our results we also performed an extensive analytical study, which we use to predict the main excitation process of several diatomic molecules, namely HF, HCl, SiO, CS, and CO. Results. At densities nH = 10^4 cm-3, the excitation of the rotational levels of CH+ is dominated by the radiative pumping of its electronic, vibrational, and rotational states if the intensities of the radiation field at \sim 0.4, \sim 4, and \sim 300 \mum are stronger than 10^5, 10^8, and 10^4 times those of the local interstellar radiation field (ISRF). Below these values, the chemical pumping is the dominant source of excitation of the J > 1 levels, even at high kinetic temperatures (\sim 1000 K). The far-infrared emission lines of CH+ observed in the Orion Bar and the NGC 7027 PDRs are consistent with the predictions of our excitation model assuming an incident far-ultraviolet (FUV) radiation field of \sim 3 \times 10^4 (in Draine's unit) and densities of \sim 5 \times 10^4 and \sim 2 \times 10^5 cm-3. In the case of NGC 7027, the estimate of the density is 10 to 100 times lower than those deduced by traditional excitation codes. Applying our model to other X1Σ+ ground state diatomic molecules, we find that HF, and SiO and HCl are the species the most sensitive to the radiative pumping of their vibrational and bound electronic states. In both cases, the minimal near-infrared and optical/UV radiation field intensities required to modify their rotational level populations are \sim 10^3 times those of the local ISRF at densities nH = 10^4 cm-3. All these results point towards interstellar and circumstellar media with densities lower than previously established and cast doubts on the clumpiness of well-studied molecular clouds.

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arXiv2012

Warm HCN in the planet formation zone of GV Tau N

The Plateau de Bure Interferometer has been used to map the continuum emission at 3.4 mm and 1.1 mm together with the J=1->0 and J=3->2 lines of HCN and HCO+ towards the binary star GV Tau. The 3.4 mm observations did not resolve the binary components and the HCN J=1->0 and HCO+ J=1->0 line emissions trace the circumbinary disk and the flattened envelope. However, the 1.1 mm observations resolved the individual disks of GV Tau N and GV Tau S and allowed us to study their chemistry. We detected the HCN 3->2 line only towards the individual disk of GV Tau N, and the emission of the HCO+ 3->2 line towards GV Tau S. Simple calculations indicate that the 3->2 line of HCN is formed in the inner R<12 AU of the disk around GV Tau N where the HCN/HCO+ abundance ratio is >300. On the contrary, this ratio is <1.6 in the disk around GV Tau S. The high HCN abundance measured in GV Tau N is well explained by photo-chemical processes in the warm (>400K) and dense disk surface.

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arXiv2010

Herschel/HIFI observations of IRC+10216: water vapor in the inner envelope of a carbon-rich AGB star

We report the results of observations of ten rotational transitions of water vapor toward the carbon-rich AGB (asymptotic giant branch) star IRC+10216 (CW Leonis), carried out with Herschel's HIFI instrument. Each transition was securely detected by means of observations using the dual beam switch mode of HIFI. The measured line ratios imply that water vapor is present in the inner outflow at small distances (few x 1.E+14 cm) from the star, confirming recent results reported by Decin et al. from observations with Herschel's PACS and SPIRE instruments. This finding definitively rules out the hypothesis that the observed water results from the vaporization of small icy objects in circular orbits. The origin of water within the dense C-rich envelope of IRC+10216 remains poorly understood. We derive upper limits on the H2-17O/H2-16O and H2-18O/H2-16O isotopic abundance ratios of ~ 5.E-3 (3 sigma), providing additional constraints on models for the origin of the water vapor in IRC+10216.

astro-ph.SR↗