Holger S. P. Müller

In-orbit performance of Herschel-HIFI

Aims. In this paper the calibration and in-orbit performance of the Heterodyne Instrument for the Far-Infrared (HIFI) is described. Methods. The calibration of HIFI is based on a combination of ground and in-flight tests. Dedicated ground tests to determine those instrument parameters that can only be measured accurately using controlled laboratory stimuli were carried out in the instrument level test (ILT) campaign. Special in-flight tests during the commissioning phase (CoP) and performance verification (PV) allowed the determination of the remaining instrument parameters. The various instrument observing modes, as specified in astronomical observation templates (AOTs), were validated in parallel during PV by observing selected celestial sources. Results. The initial calibration and in-orbit performance of HIFI has been established. A first estimate of the calibration budget is given. The overall in-flight instrument performance agrees with the original specification. Issues remain at only a few frequencies.

Complex organic molecules in the interstellar medium: IRAM 30 m line survey of Sagittarius B2(N) and (M)

The discovery of amino acids in meteorites and the detection of glycine in samples returned from a comet to Earth suggest that the interstellar chemistry is capable of producing such complex organic molecules. Our goal is to investigate the degree of chemical complexity that can be reached in the ISM. We performed an unbiased, spectral line survey toward Sgr B2(N) and (M) with the IRAM 30m telescope in the 3mm window. The spectra were analyzed with a simple radiative transfer model that assumes LTE but takes optical depth effects into account. About 3675 and 945 spectral lines with a peak signal-to-noise ratio higher than 4 are detected toward N and M, i.e. about 102 and 26 lines per GHz, respectively. This represents an increase by about a factor of 2 over previous surveys of Sgr B2. About 70% and 47% of the lines detected toward N and M are identified and assigned to 56 and 46 distinct molecules as well as to 66 and 54 less abundant isotopologues of these molecules, respectively. We also report the detection of transitions from 59 and 24 catalog entries corresponding to vibrationally or torsionally excited states of some of these molecules, respectively. Excitation temperatures and column densities were derived for each species but should be used with caution. Among the detected molecules, aminoacetonitrile, n-propyl cyanide, and ethyl formate were reported for the first time in space based on this survey, as were 5 rare isotopologues of vinyl cyanide, cyanoacetylene, and hydrogen cyanide. We also report the detection of transitions from within 12 new vib. or tors. excited states of known molecules. Although the large number of unidentified lines may still allow future identification of new molecules, we expect most of these lines to belong to vib. or tors. excited states or to rare isotopologues of known molecules for which spectroscopic predictions are currently missing. (abridged)

The Cologne Database for Molecular Spectroscopy, CDMS

The unambiguous assignment of atomic or molecular lines in the interstellar or circumstellar medium (ISM or CSM) depends critically on the availability of laboratory data with appropriate accuracy. Above approximately 500 GHz the amount of transitions measured in the laboratory decreases fast. However, with upcoming missions such as the Stratospheric Observatory For Infrared Astronomy (SOFIA), the Herschel Space Observatory, or the Atacama Large Millimeter Array (ALMA) the need for accurate rest frequencies up to at least 2 THz increases considerably. The catalog section of the Cologne Database for Molecular Spectroscopy (CDMS) has been created to provide the astronomical community with line frequencies of atoms and molecules of astronomical interest. The CDMS is available on the internet free of charge via http://www.ph1.uni-koeln.de/vorhersagen/ or via the short-cut http://www.cdms.de/.

In Situ Synthesis of an Imidazolate‐4‐amide‐5‐imidate Ligand and Formation of a Microporous Zinc–Organic Framework with H2‐and CO2‐Storage Ability

In Situ Synthesis of an Imidazolate-4-amide-5-imidate Ligand and Formation of a Microporous Zinc-Organic Framework with H-2-and CO2-Storage Ability

Triply deuterated ammonia in NGC 1333

The Caltech Submillimeter Observatory has detected triply deuterated ammonia, ND3, through its JK =1 a! 0 s transition near 310 GHz. Emission is found in the NGC 1333 region, both towards IRAS 4A and a position to the South-East where DCO + peaks. In both cases, the hyperne ratio indicates that the emission is optically thin. Column densities of ND3 are 3 610 11 cm 2 for Tex = 10 K and twice as high for Tex = 5 K. Using a Monte Carlo radiative transfer code and a model of the structure of the IRAS source with temperature and density gradients, the estimated ND3 abundance is 3:2 10 12 if ND3/H2 is constant throughout the envelope. In the more likely case that ND3/H2D + is constant, ND3/H2 peaks in the cold outer parts of the source at a value of 1:0 10 11 . To reproduce the observed NH3/ND3 abundance ratio of1000, grain surface chemistry requires an atomic D/H ratio of0.15 in the gas phase, >10 times higher than in recent chemical models. More likely, the deuteration of NH3 occurs by ion-molecule reactions in the gas phase, in which case the data indicate that deuteron transfer reactions are much faster than proton transfers.

Herschel observations of EXtra-Ordinary Sources (HEXOS):The present and future of spectral surveys with Herschel/HIFI

We present initial results from the Herschel GT key program: Herschel observations of EXtra-Ordinary Sources (HEXOS) and outline the promise and potential of spectral surveys with Herschel/HIFI. The HIFI instrument offers unprecedented sensitivity, as well as continuous spectral coverage across the gaps imposed by the atmosphere, opening up a largely unexplored wavelength regime to high-resolution spectroscopy. We show the spectrum of Orion KL between 480 and 560 GHz and from 1.06 to 1.115 THz. From these data, we confirm that HIFI separately measures the dust continuum and spectrally resolves emission lines in Orion KL. Based on this capability we demonstrate that the line contribution to the broad-band continuum in this molecule-rich source is ~20-40% below 1 THz and declines to a few percent at higher frequencies. We also tentatively identify multiple transitions of HD18O in the spectra. The first detection of this rare isotopologue in the interstellar medium suggests that HDO emission is optically thick in the Orion hot core with HDO/H2O ~ 0.02. We discuss the implications of this detection for the water D/H ratio in hot cores. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Figure 2 (page 6) is also available in electronic form at http://www.aanda.org

Detection of a branched alkyl molecule in the interstellar medium: iso-propyl cyanide

Carbon chains branch out on space dust Meteorites found on Earth contain a wide range of complex constituent molecules, including amino acids. Astrochemists proposed the existence of these molecules in interstellar space in the 1980s, but detections have been elusive. Belloche et al. used the ALMA telescope array in Chile to observe the massive star-forming region Sgr B2. There, the vast quantities of gas enabled detection of even sparsely distributed species such as iso-propyl cyanide. Despite being difficult to detect, such nonlinear organic molecules may be common. The formation of branched molecules is important, given the analogous structure of familiar amino acids — some of the building blocks for life. Science, this issue p. 1584 Millimeter-wave emission is detected from branched carbon-chain molecules that may form on interstellar dust-grain surfaces. The largest noncyclic molecules detected in the interstellar medium (ISM) are organic with a straight-chain carbon backbone. We report an interstellar detection of a branched alkyl molecule, iso-propyl cyanide (i-C3H7CN), with an abundance 0.4 times that of its straight-chain structural isomer. This detection suggests that branched carbon-chain molecules may be generally abundant in the ISM. Our astrochemical model indicates that both isomers are produced within or upon dust grain ice mantles through the addition of molecular radicals, albeit via differing reaction pathways. The production of iso-propyl cyanide appears to require the addition of a functional group to a nonterminal carbon in the chain. Its detection therefore bodes well for the presence in the ISM of amino acids, for which such side-chain structure is a key characteristic.

Accurate rest frequencies of methanol maser and dark cloud lines

We report accurate laboratory measurements of selected methanol transition frequencies between 0.834 and 230 GHz in order to facilitate astronomical velocity analyses. New data have been obtained between 10 and 27 GHz and between 60 and 119 GHz. Emphasis has been put on known or potential interstellar maser lines as well as on transitions suitable for the investigation of cold dark clouds. Because of the narrow line widths (<0. 5k m s −1 ) of maser lines and lines detected in dark molecular clouds, accurate frequencies are needed for comparison of the velocities of different methanol lines with each other as well as with lines from other species. In particular, frequencies for a comprehensive set of transitions are given which, because of their low energy levels (<20 cm −1 or 30 K), are potentially detectable in cold clouds. Global Hamiltonian fits generally do not yet yield the required accuracy. Additionally, we report transition frequencies for other lines that may be used to test and to improve existing Hamiltonian models.

Submillimeter absorption from SH+, a new widespread interstellar radical, 13CH+ and HCl

We have used the Atacama Pathfinder Experiment 12 m telescope (APEX) to carry out an absorption study of submillimeter wavelength rotational ground-state lines of H 35 Cl, H 37 Cl, 13 CH + , and, for the first time, of the SH + radical (sulfoniumylidene or sulfanylium). We detected the quartet of ground-state hyperfine structure lines of SH + near 683 GHz with the CHAMP+ array receiver against the strong continuum source Sagittarius B2, which is located close to the center of our Galaxy. In addition to absorption from various kinematic components of Galactic center gas, we also see absorption at the radial velocities belonging to intervening spiral arms. This demonstrates that SH + is a ubiquitous component of the diffuse interstellar medium. We do not find clear evidence for other SH + lines we searched for, which is partially due to blending with lines from other molecules. In addition to SH + , we observed absorption from H 35 Cl, H 37 Cl, and 13 CH + . The observed submillimeter absorption is compared in detail with absorption in 3 mm transitions of H 13 CO + and c-C3H2 and the CO J = 1− 0a nd 3−2 transitions.

Circumstellar molecular composition of the oxygen-rich AGB star IK Tauri II. In-depth non-LTE chemical abundance analysis

Context. The interstellar medium is enriched primarily by matter ejected from evolved low and intermediate mass stars. The outflow from these stars creates a circumstellar envelope in which a rich gas-phase chemistry takes place. Complex shock-induced nonequilibrium chemistry takes place in the inner wind envelope, dust-gas reactions and ion-molecule reactions alter the abundances in the intermediate wind zone, and the penetration of cosmic rays and ultraviolet photons dissociates the molecules in the outer wind region. Aims. Little observational information exists on the circumstellar molecular abundance stratifications of many molecules. Furthermore, our knowledge of oxygen-rich envelopes is not as profound as for the carbon-rich counterparts. The aim of this paper is therefore to study the circumstellar chemical abundance pattern of 11 molecules and isotopologs ( 12 CO, 13 CO, SiS, 28 SiO, 29 SiO, 30 SiO, HCN, CN, CS, SO, SO2) in the oxygen-rich evolved star IK Tau. Methods. We have performed an in-depth analysis of a large number of molecular emission lines excited in the circumstellar envelope around IK Tau. The analysis is done based on a non-local thermodynamic equilibrium (non-LTE) radiative transfer analysis, which calculates the temperature and velocity structure in a self-consistent way. The chemical abundance pattern is coupled to theoretical outer wind model predictions including photodestruction and cosmic ray ionization. Not only the integrated line intensities, but also the line shapes are used as diagnostic tool to study the envelope structure. Results. The deduced wind acceleration is much slower than predicted from classical theories. SiO and SiS are depleted in the envelope, possibly due to the adsorption onto dust grains. For HCN and CS a clear difference with respect to inner wind non-equilibrium predictions is found, either indicating uncertainties in the inner wind theoretical modeling or the possibility that HCN and CS (or the radical CN) participate in the dust formation. The low signal-to-noise profiles of SO and CN prohibit an accurate abundance determination; the modeling of high-excitation SO2 lines is cumbersome, possibly related to line misidentifications or problems with the collisional rates. The SiO isotopic ratios ( 29 SiO/ 28 SiO and 30 SiO/ 28 SiO) point toward an enhancement in 28 SiO compared to results of classical stellar evolution codes. Predictions for H2O emission lines in the spectral range of the Herschel/HIFI mission are performed.