Discovery of HC4NC in TMC-1: A study of the isomers of HC3N, HC5N, and HC7N.

We present a study of the isocyano isomers of the cyanopolyynes HC3N, HC5N, and HC7N in TMC-1 and IRC+10216 carried out with the Yebes 40m radio telescope. This study has enabled us to report the detection, for the first time in space, of HCCCCNC in TMC-1 and to give upper limits for HC6NC in the same source. In addition, the deuterated isotopologues of HCCNC and HNCCC were detected, along with all 13C substitutions of HCCNC, also for the first time in space. The abundance ratios of HC3N and HC5N, with their isomers, are very different in TMC-1 and IRC+10216, namely, N(HC5N)/N(HC4NC) is ~300 and ≥2100, respectively. We discuss the chemistry of the metastable isomers of cyanopolyynes in terms of the most likely formation pathways and by comparing observational abundance ratios between different sources.

Discovery of the first Ca-bearing molecule in space: CaNC.

We report on the detection of calcium isocyanide, CaNC, in the carbon-rich evolved star IRC+10216. We derived a column density for this species of (2±0.5)×1011 cm-2. Based on the observed line profiles and the modelling of its emission through the envelope, the molecule has to be produced in the intermediate and outer layers of the circumstellar envelope where other metal-isocyanides have previously been found in this source. The abundance ratio of CaNC relative to MgNC and FeCN is ≃1/60 and ≃1, respectively. We searched for the species CaF, CaCl, CaC, CaCCH, and CaCH3 for which accurate frequency predictions are available. Only upper limits have been obtained for these molecules.

Discovery of two new magnesium-bearing species in IRC+10216: MgC3N and MgC4H.

We report on the detection of two series of harmonically related doublets in IRC +10216. From the observed frequencies, the rotational constant of the first series is B = 1380.888 MHz and that of the second series is B = 1381.512 MHz. The two series correspond to two species with a 2Σ electronic ground state. After considering all possible candidates, and based on quantum chemical calculations, the first series is assigned to MgC3N and the second to MgC4H. For the latter species, optical spectroscopy measurements support its identification. Unlike diatomic metal-containing molecules, the line profiles of the two new molecules indicate that they are formed in the outer layers of the envelope, as occurs for MgNC and other polyatomic metal-cyanides. We also confirm the detection of MgCCH that was previously reported from the observation of two doublets. The relative abundance of MgC3N with respect to MgNC is close to one while that of MgC4H relative to MgCCH is about ten. The synthesis of these magnesium cyanides and acetylides in IRC +10216 can be explained in terms of a two-step process initiated by the radiative association of Mg+ with large cyanopolyynes and polyynes followed by the dissociative recombination of the ionic complexes.

IRC +10216 as a spectroscopic laboratory: improved rotational constants for SiC2, its isotopologues, and Si2C.

This work presents a detailed analysis of the laboratory and astrophysical spectral data available for 28SiC2, 29SiC2,30SiC2, Si13CC, and Si2C. New data on the rotational lines of these species between 70 and 350 GHz have been obtained with high spectral resolution (195 kHz) with the IRAM 30m telescope in the direction of the circumstellar envelope IRC +10216. Frequency measurements can reach an accuracy of 50 kHz for features observed with a good signal to noise ratio. From the observed astrophysical lines and the available laboratory data new rotational and centrifugal distortion constants have been derived for all the isotopologues of SiC2, allowing to predict their spectrum with high accuracy in the millimeter and submillimeter domains. Improved rotational and centrifugal distortion constants have also been obtained for disilicon carbide, Si2C. This work shows that observations of IRC +10216 taken with the IRAM 30m telescope, with a spectral resolution of 195 kHz, can be used for any molecular species detected in this source to derive, or improve, its rotational constants. Hence, IRC +10216 in addition to be one the richest sources in molecular species in the sky, can also be used as a state-of-the-art spectroscopy laboratory in the millimeter and submillimeter domains.

Circumstellar chemistry of Si-C bearing molecules in the C-rich AGB star IRC+10216.

Silicon carbide together with amorphous carbon are the main components of dust grains in the atmospheres of C-rich AGB stars. Small gaseous Si-C bearing molecules (such as SiC, SiCSi, and SiC2) are efficiently formed close to the stellar photosphere. They likely condense onto dust seeds owing to their highly refractory nature at the lower temperatures (i.e., below about 2500 K) in the dust growth zone which extends a few stellar radii from the photosphere. Beyond this region, the abundances of Si-C bearing molecules are expected to decrease until they are eventually reformed in the outer shells of the circumstellar envelope, owing to the interaction between the gas and the interstellar UV radiation field. Our goal is to understand the time-dependent chemical evolution of Si-C bond carriers probed by molecular spectral line emission in the circumstellar envelope of IRC+10216 at millimeter wavelengths.

Time-dependent molecular emission in IRC+10216.

CONTEXT: The variability in IRC+10216, the envelope of the asymptotic giant branch (AGB) star CW Leo, has attracted increasing attention in recent years. Studying the details of this variability in the molecular emission required a systematic observation program. AIMS: We aim to reveal and characterize the periodical variability of the rotational lines from several molecules and radicals in IRC+10216, and to compare it with previously reported IR variability. METHODS: We carried out systematic monitoring within the ~80 to 116 GHz frequency range with the IRAM 30m telescope. RESULTS: We report on the periodical variability in IRC+10216 of several rotational lines from the following molecules and radicals: HC3N, HC5N, CCH, C4H, C5H, and CN. The analysis of the variable molecular lines provides periods that are consistent with previously reported IR variability, and interesting phase lags are revealed that point toward radiative transfer and pumping, rather than chemical effects. CONCLUSIONS: This study indicates that observations of several lines of a given molecule have to be performed simultaneously or at least at the same phase in order to avoid erroneous interpretation of the data. In particular, merging ALMA data from different epochs may prove to be difficult, as shown by the example of the variability we studied here. Moreover, radiative transfer codes have to incorporate the effect of population variability in the rotational levels in CW Leo.

The Maser Emitting Structure and Time Variability of the SIS Lines J = 14 - 13 and 15 - 14 in IRC+10216.

We present new high angular resolution interferometer observations of the υ = 0 J = 14 - 13 and 15 - 14 SiS lines towards IRC+10216, carried out with CARMA and ALMA. The maps, with angular resolutions of ≃0⋅″25and0⋅″55, reveal (1) an extended, roughly uniform, and weak emission with a size of ≃0⋅″5, (2) a component elongated approximately along the East-West direction peaking at ≃0⋅″13and0⋅″17 at both sides of the central star, and (3) two blue- and red-shifted compact components peaking around 0⋅″07 to the NW of the star. We have modeled the emission with a 3D radiation transfer code finding that the observations cannot be explained only by thermal emission. Several maser clumps and one arc-shaped maser feature arranged from 5 to 20R⋆ from the central star, in addition to a thin shell-like maser structure at ≃ 13R⋆ are required to explain the observations. This maser emitting set of structures accounts for 75% of the total emission while the other 25% is produced by thermally excited molecules. About 60% of the maser emission comes from the extended emission and the rest from the set of clumps and the arc. The analysis of a time monitoring of these and other SiS and 29SiS lines carried out with the IRAM 30 m telescope from 2015 to present suggests that the intensity of some spectral components of the maser emission strongly depends on the stellar pulsation while other components show a mild variability. This monitoring evidences a significant phase lag of ≃ 0.2 between the maser and NIR light-curves.

Carbon Chemistry in IRC+10216: Infrared Detection of Diacetylene.

We present the detection of C4H2 for first time in the envelope of the C-rich AGB star IRC+10216 based on high spectral resolution mid-IR observations carried out with the Texas Echelon-cross-Echelle Spectrograph (TEXES) mounted on the Infrared Telescope Facility (IRTF). The obtained spectrum contains 24 narrow absorption features above the detection limit identified as lines of the ro-vibrational C4H2 band ν6+ν8(σu+). The analysis of these lines through a ro-vibrational diagram indicates that the column density of C4H2 is (2.4 ± 1.5) × 1016 cm-2. Diacetylene is distributed in two excitation populations accounting for 20 and 80% of the total column density and with rotational temperatures of 47 ± 7 and 420 ± 120 K, respectively. This two-folded rotational temperature suggests that the absorbing gas is located beyond ≃0·"4≃20R⋆ from the star with a noticeable cold contribution outwards from ≃ 10″ ≃ 500R⋆. This outer shell matches up with the place where cyanoacetylenes and carbon chains are known to form due to the action of the Galactic dissociating radiation field on the neutral gas coming from the inner layers of the envelope.

Discovery of methyl silane and confirmation of silyl cyanide in IRC +10216.

We report the discovery in space of methyl silane, CH3SiH3, from observations of ten rotational transitions between 80 and 350 GHz (Ju from 4 to 16) with the IRAM 30 m radio telescope. The molecule was observed in the envelope of the C-star IRC +10216. The observed profiles and our models for the expected emission of methyl silane suggest that the it is formed in the inner zones of the circumstellar envelope, 1-40 R*, with an abundance of (0.5-1) × 10-8 relative to H2. We also observed several rotational transitions of silyl cyanide (SiH3CN), confirming its presence in IRC +10216 in particular, and in space in general. Our models indicate that silyl cyanide is also formed in the inner regions of the envelope, around 20 R*, with an abundance relative to H2 of 6×10-10. The possible formation mechanisms of both species are discussed. We also searched for related chemical species but only upper limits could be obtained.

Clues to NaCN formation.

CONTEXT: ALMA is providing us essential information on where certain molecules form. Observing where these molecules emission arises from, the physical conditions of the gas, and how this relates with the presence of other species allows us to understand the formation of many species, and to significantly improve our knowledge of the chemistry that occurs in the space. AIMS: We studied the molecular distribution of NaCN around IRC +10216, a molecule detected previously, but whose origin is not clear. High angular resolution maps allow us to model the abundance distribution of this molecule and check suggested formation paths. METHODS: We modeled the emission of NaCN assuming local thermal equilibrium (LTE) conditions. These profiles were fitted to azimuthal averaged intensity profiles to obtain an abundance distribution of NaCN. RESULTS: We found that the presence of NaCN seems compatible with the presence of CN, probably as a result of the photodissociation of HCN, in the inner layers of the ejecta of IRC +10216. However, similar as for CH3CN, current photochemical models fail to reproduce this CN reservoir. We also found that the abundance peak of NaCN appears at a radius of 3 × 1015cm, approximately where the abundance of NaCl, suggested to be the parent species, starts to decay. However, the abundance ratio shows that the NaCl abundance is lower than that obtained for NaCN. We expect that the LTE assumption might result in NaCN abundances higher than the real ones. Updated photochemical models, collisional rates, and reaction rates are essential to determine the possible paths of the NaCN formation.

The Abundance of C2H4 in the Circumstellar Envelope of IRC+10216.

High spectral resolution mid-IR observations of ethylene (C2H4) towards the AGB star IRC+10216 were obtained using the Texas Echelon Cross Echelle Spectrograph (TEXES) at the NASA Infrared Telescope Facility (IRTF). Eighty ro-vibrational lines from the 10.5 µm vibrational mode ν7 with J ≲ 30 were detected in absorption. The observed lines are divided into two groups with rotational temperatures of 105 and 400 K (warm and hot lines). The warm lines peak at ≃ -14 km s-1 with respect to the systemic velocity, suggesting that they are mostly formed outwards from ≃ 20R⋆. The hot lines are centered at -10 km s-1 indicating that they come from a shell between 10 and 20R⋆. 35% of the observed lines are unblended and can be fitted with a code developed to model the emission of a spherically symmetric circumstellar envelope. The analysis of several scenarios reveal that the C2H4 abundance relative to H2 in the range 5 - 20R⋆ is 6.9 × 10-8 in average and it could be as high as 1.1 × 10-7. Beyond 20R⋆, it is 8.2 × 10-8. The total column density is (6.5 ± 3.0) × 1015 cm-2. C2H4 is found to be rotationally under local thermodynamical equilibrium (LTE) and vibrationally out of LTE. One of the scenarios that best reproduce the observations suggests that up to 25% of the C2H4 molecules at 20R⋆ could condense onto dust grains. This possible depletion would not influence significantly the gas acceleration although it could play a role in the surface chemistry on the dust grains.

Herschel/HIFI observations of the circumstellar ammonia lines in IRC+10216.

CONTEXT: A discrepancy exists between the abundance of ammonia (NH3) derived previously for the circumstellar envelope (CSE) of IRC+10216 from far-IR submillimeter rotational lines and that inferred from radio inversion or mid-infrared (MIR) absorption transitions. AIMS: To address the discrepancy described above, new high-resolution far-infrared (FIR) observations of both ortho- and para-NH3 transitions toward IRC+10216 were obtained with Herschel, with the goal of determining the ammonia abundance and constraining the distribution of NH3 in the envelope of IRC+10216. METHODS: We used the Heterodyne Instrument for the Far Infrared (HIFI) on board Herschel to observe all rotational transitions up to the J = 3 level (three ortho- and six para-NH3 lines). We conducted non-LTE multilevel radiative transfer modelling, including the effects of near-infrared (NIR) radiative pumping through vibrational transitions. The computed emission line profiles are compared with the new HIFI data, the radio inversion transitions, and the MIR absorption lines in the ν2 band taken from the literature. RESULTS: We found that NIR pumping is of key importance for understanding the excitation of rotational levels of NH3. The derived NH3 abundances relative to molecular hydrogen were (2.8 ± 0.5) × 10-8 for ortho-NH3 and [Formula: see text] for para-NH3, consistent with an ortho/para ratio of 1. These values are in a rough agreement with abundances derived from the inversion transitions, as well as with the total abundance of NH3 inferred from the MIR absorption lines. To explain the observed rotational transitions, ammonia must be formed near to the central star at a radius close to the end of the wind acceleration region, but no larger than about 20 stellar radii (1σ confidence level).

Hints of a rotating spiral structure in the innermost regions around IRC +10216.

The Atacama Large Millimeter/submillimeter Array (ALMA) is allowing us to study the innermost regions of the circumstellar envelopes of evolved stars with un-precedented precision and sensitivity. Key processes in the ejection of matter and dust from these objects occur in their inner zones. In this work, we present sub-arcsecond interferometric maps of transitions of metal-bearing molecules towards the prototypical C-rich evolved star IRC +10216. While Al-bearing molecules seem to be present as a roughly spherical shell, the molecular emission from the salts NaCl and KCl presents an elongation in the inner regions, with a central minimum. In order to accurately analyze the emission from the NaCl rotational lines, we present new calculations of the collisional rates for this molecule based on new spectroscopic constants. The most plausible interpretation for the spatial distribution of the salts is a spiral with a NaCl mass of 0.08M☉. Alternatively, a torus of gas and dust would result in similar structures as those observed. From the torus scenario we derive a mass of ~ 1.1 × 10-4M☉. In both cases, the spiral and the torus, the NaCl structure presents an inner minimum of 27 AU. In the case of the torus, the outer radius is 73 AU. The kinematics of both the spiral and the torus suggests that they are slowly expanding and rotating. Alternative explanations for the presence of the elongation are explored. The presence of these features only in KCl and NaCl might be a result of their comparatively high dipole moment with respect to the Al-bearing species.

THE PECULIAR DISTRIBUTION OF CH3CN IN IRC +10216 SEEN BY ALMA.

IRC +10216 is a circumstellar envelope around a carbon-rich evolved star which contains a large variety of molecules. According to interferometric observations, molecules are distributed either concentrated around the central star or as a hollow shell with a radius of ~15″. We present ALMA Cycle 0 band 6 observations of the J = 14 - 13 rotational transition of CH3CN in IRC +10216, obtained with an angular resolution of [Formula: see text]. The bulk of the emission is distributed as a hollow shell located at just ~2″ from the star, with a void of emission in the central region up to a radius of ~1″. This spatial distribution is markedly different from those found to date in this source for other molecules. Our analysis indicate that methyl cyanide is not formed neither in the stellar photosphere nor far in the outer envelope, but at radial distances as short as 1-2″, reaching a maximum abundance of ~ 0.02 molecules cm-3 at 2″ from the star. Standard chemical models of IRC +10216 predict that the bulk of CH3CN molecules should be present at a radius of ~ 15″, where other species such as polyyne radicals and cyanopolyynes are observed, with an additional inner component within 1″ from the star. The non-uniform structure of the circumstellar envelope and grain surface processes are discussed as possible causes of the peculiar distribution of methyl cyanide in IRC +10216.

Discovery of SiCSi in IRC +10216: A missing link between gas and dust carriers of Si-C bonds.

We report the discovery in space of a disilicon species, SiCSi, from observations between 80 and 350 GHz with the IRAM 30m radio telescope. Owing to the close coordination between laboratory experiments and astrophysics, 112 lines have now been detected in the carbon-rich star CW Leo. The derived frequencies yield improved rotational and centrifugal distortion constants up to sixth order. From the line profiles and interferometric maps with the Submillimeter Array, the bulk of the SiCSi emission arises from a region of 6″ in radius. The derived abundance is comparable to that of SiC2. As expected from chemical equilibrium calculations, SiCSi and SiC2 are the most abundant species harboring a Si-C bond in the dust formation zone and certainly both play a key role in the formation of SiC dust grains.

SI-BEARING MOLECULES TOWARD IRC+10216: ALMA UNVEILS THE MOLECULAR ENVELOPE OF CWLEO.

We report the detection of SiS rotational lines in high-vibrational states as well as SiO and SiC2 lines in their ground vibrational state toward IRC+10216 during the Atacama Large Millimeter Array Cycle 0. The spatial distribution of these molecules shows compact emission for SiS and a more extended emission for SiO and SiC2, and also proves the existence of an increase in the SiC2 emission at the outer shells of the circumstellar envelope. We analyze the excitation conditions of the vibrationally excited SiS using the population diagram technique, and we use a large velocity gradient model to compare with the observations. We found moderate discrepancies between the observations and the models that could be explained if SiS lines detected are optically thick. Additionally, the line profiles of the detected rotational lines in the high energy vibrational states show a decreasing linewidth with increasing energy levels. This may be evidence that these lines could be excited only in the inner shells, i.e., the densest and hottest, of the circumstellar envelope of IRC+10216.

The abundance of 28Si32S, 29Si32S, 28Si34S, and 30Si32S in the inner layers of the envelope of IRC+10216.

We present high spectral resolution mid-IR observations of SiS towards the C-rich AGB star IRC+10216 carried out with the Texas Echelon-cross-Echelle Spectrograph mounted on the NASA Infrared Telescope Facility. We have identified 204 ro-vibrational lines of 28Si32S, 26 of 29Si32S, 20 of 28Si34S, and 15 of 30Si32S in the frequency range 720 - 790 cm-1. These lines belong to bands v = 1 - 0, 2 - 1, 3 - 2, 4-3, and 5-4, and involve rotational levels with Jlow ≲ 90. About 30 per cent of these lines are unblended or weakly blended and can be partially or entirely fitted with a code developed to model the mid-IR emission of a spherically symmetric circumstellar envelope composed of expanding gas and dust. The observed lines trace the envelope at distances to the star ≲ 35R⋆(≃ 0″.7). The fits are compatible with an expansion velocity of 1+2.5(r/R⋆ -1) km s-1 between 1 and 5R⋆, 11 km s-1 between 5 and 20R⋆, and 14.5 km s-1 outwards. The derived abundance profile of 28Si32S with respect to H2 is 4.9 × 10-6 between the stellar photosphere and 5R⋆, decreasing linearly down to 1.6 × 10-6 at 20R⋆ and to 1.3 × 10-6 at 50R⋆. 28Si32S seems to be rotationally under LTE in the region of the envelope probed with our observations and vibrationally out of LTE in most of it. There is a red-shifted emission excess in the 28Si32S lines of band v = 1 - 0 that cannot be found in the lines of bands v = 2 - 1, 3 - 2, 4 - 3, and 5 - 4. This excess could be explained by an enhancement of the vibrational temperature around 20R⋆ behind the star. The derived isotopic ratios 28Si/29Si, and 32S/34S are 17 and 14, compatible with previous estimates.

Molecular shells in IRC+10216: tracing the mass loss history,.

Thermally-pulsating AGB stars provide three-fourths of the matter returned to the interstellar medium. The mass and chemical composition of their ejecta largely control the chemical evolution of galaxies. Yet, both the mass loss process and the gas chemical composition remain poorly understood. We present maps of the extended 12CO and 13CO emissions in IRC+10216, the envelope of CW Leo, the high mass loss star the closest to the Sun. IRC+10216 is nearly spherical and expands radially with a velocity of 14.5 km s-1. The observations were made On-the-Fly with the IRAM 30 m telescope; their sensibility, calibration, and angular resolution are far higher than all previous studies. The telescope resolution at λ = 1.3 mm (11″ HPBW) corresponds to an expansion time of 500 yr. The CO emission consists of a centrally peaked pedestal and a series of bright, nearly spherical shells. It peaks on CW Leo and remains relatively strong up to rphot = 180″. Further out the emission becomes very weak and vanishes as CO gets photodissociated. As CO is the best tracer of the gas up to rphot, the maps show the mass loss history in the last 8000 yr. The bright CO shells denote over-dense regions. They show that the mass loss process is highly variable on timescales of hundreds of years. The new data, however, do not support previous claims of a strong decrease of the average mass loss in the last few thousand years. The over-dense shells are not perfectly concentric and extend farther to the N-NW. The typical shell separation is 800-1000 yr in the middle of the envelope, but seems to increase outwards. The shell-intershell brightness contrast is ≥3. All those key features can be accounted for if CW Leo has a companion star with a period ≃800 yr that increases the mass loss rate when it comes close to periastron. Higher angular resolution observations are needed to fully resolve the dense shells and measure the density contrast. The latter plays an essential role in our understanding of the envelope chemistry.

Discovery of Time Variation of the Intensity of Molecular Lines in IRC+10216 in The Submillimeter and Far Infrared Domains.

We report on the discovery of strong intensity variations in the high rotational lines of abundant molecular species towards the archetypical circumstellar envelope of IRC+10216. The observations have been carried out with the HIFI instrument on board Herschel and with the IRAM 30-m telescope. They cover several observing periods spreading over 3 years. The line intensity variations for molecules produced in the external layers of the envelope most probably result from time variations in the infrared pumping rates. We analyze the main implications this discovery has on the interpretation of molecular line emission in the envelopes of Mira-type stars. Radiative transfer calculations have to take into account both the time variability of infrared pumping and the possible variation of the dust and gas temperatures with stellar phase in order to reproduce the observation of molecular lines at different epochs. The effect of gas temperature variations with stellar phase could be particularly important for lines produced in the innermost regions of the envelope. Each layer of the circumstellar envelope sees the stellar light radiation with a different lag time (phase). Our results show that this effect must be included in the models. The sub-mm and FIR lines of AGB stars cannot anymore be considered as safe intensity calibrators.