Notations and conventions in molecular spectroscopy: part 1. General spectroscopic notation

The field of Molecular Spectroscopy was surveyed in order to determine a set of conventions and symbols which are in common use in the spectroscopic literature. This document, which is Part I in a series, establishes the notations and conventions used for general spectroscopic notations and deals with quantum mechanics, quantum numbers (vibrational states, angular momentum and energy levels), spectroscopic transitions, and miscellaneous notations (e.g. spectroscopic terms). Further parts will follow, dealing inter alia with symmetry notation, permutation and permutation-inversion symmetry notation, vibration-rotation spectroscopy and electronic spectroscopy

Notations and conventions in molecular spectroscopy: part 2. Symmetry notation

The field of Molecular Spectroscopy was surveyed in order to determine a set of conventions and symbols which are in common use in the spectroscopic literature. This document, which is Part 2 in a series, establishes the notations and conventions used for the description of symmetry in rigid molecules, using the Schoenflies notation. It deals firstly with the symmetry operators of the molecular point groups (also drawing attention to the difference between symmetry operators and elements). The conventions and notations of the molecular point groups are then established, followed by those of the representations of these groups as used in molecular spectroscopy. Further parts will follow, dealing inter alia with permutation and permutation-inversion symmetry notation, vibration-rotation spectroscopy and electronic spectroscopy

Rotational spectra of isotopic species of methyl cyanide, CH3_3CN, in their ground vibrational states up to terahertz frequencies

Methyl cyanide is an important trace molecule in star-forming regions. It is one of the more common molecules used to derive kinetic temperatures in such sources. As preparatory work for Herschel, SOFIA, and in particular ALMA we want to improve the rest frequencies of the main as well as minor isotopologs of methyl cyanide. The laboratory rotational spectrum of methyl cyanide in natural isotopic composition has been recorded up to 1.63 THz. Transitions with good signal-to-noise ratio could be identified for CH$_3$CN, $^{13}$CH$_3$CN, CH$_3^{13}$CN, CH$_3$C$^{15}$N, CH$_2$DCN, and $^{13}$CH$_3^{13}$CN in their ground vibrational states up to about 1.2 THz. The main isotopic species could be identified even in the highest frequency spectral recordings around 1.6 THz. The highest $J'$ quantum numbers included in the fit are 64 for $^{13}$CH$_3^{13}$CN and 89 for the main isotopic species. Greatly improved spectroscopic parameters have been obtained by fitting the present data together with previously reported transition frequencies. The present data will be helpful to identify isotopologs of methyl cyanide in the higher frequency bands of instruments such as the recently launched Herschel satellite, the upcoming airplane mission SOFIA or the radio telescope array ALMA.Comment: 13 pages, 2 figures, article appeared; CDMS links update

The Distribution of Water Emission in M17SW

We present a 17-point map of the M17SW cloud core in the 1_{10}-1_{01} transition of ortho-water at 557 GHz obtained with the Submillimeter Wave Astronomy Satellite. Water emission was detected in 11 of the 17 observed positions. The line widths of the water emission vary between 4 and 9 km s^{-1}, and are similar to other emission lines that arise in the M17SW core. A direct comparison is made between the spatial extent of the water emission and the ^{13}CO J = 5\to4 emission; the good agreement suggests that the water emission arises in the same warm, dense gas as the ^{13}CO emission. A spectrum of the H_2^{18}O line was also obtained at the center position of the cloud core, but no emission was detected. We estimate that the average abundance of ortho-water relative to H_2 within the M17 dense core is approximately 1x10^{-9}, 30 times smaller than the average for the Orion core. Toward the H II region/molecular cloud interface in M17SW the ortho-water abundance may be about 5 times larger than in the dense core.Comment: 4 pages, 3 Postscript figures, uses aastex.cls, emulateapj5.sty (included), and apjfonts.sty (included

Water Abundance in Molecular Cloud Cores

We present Submillimeter Wave Astronomy Satellite (SWAS) observations of the 1_{10}-1_{01} transition of ortho-water at 557 GHz toward 12 molecular cloud cores. The water emission was detected in NGC 7538, Rho Oph A, NGC 2024, CRL 2591, W3, W3(OH), Mon R2, and W33, and was not detected in TMC-1, L134N, and B335. We also present a small map of the water emission in S140. Observations of the H_2^{18}O line were obtained toward S140 and NGC 7538, but no emission was detected. The abundance of ortho-water relative to H_2 in the giant molecular cloud cores was found to vary between 6x10^{-10} and 1x10^{-8}. Five of the cloud cores in our sample have previous water detections; however, in all cases the emission is thought to arise from hot cores with small angular extents. The water abundance estimated for the hot core gas is at least 100 times larger than in the gas probed by SWAS. The most stringent upper limit on the ortho-water abundance in dark clouds is provided in TMC-1, where the 3-sigma upper limit on the ortho-water fractional abundance is 7x10^{-8}.Comment: 5 pages, 3 Postscript figures, uses aastex.cls, emulateapj5.sty (included), and apjfonts.sty (included

A Spectral Line Survey of Selected 3 mm Bands Toward Sagittarius B2(N-LMH) Using the NRAO 12 Meter Radio Telescope and the BIMA Array I. The Observational Data

We have initiated a spectral line survey, at a wavelength of 3 millimeters, toward the hot molecular core Sagittarius B2(N-LMH). This is the first spectral line survey of the Sgr B2(N) region utilizing data from both an interferometer (BIMA Array) and a single-element radio telescope (NRAO 12 meter). In this survey, covering 3.6 GHz in bandwidth, we detected 218 lines (97 identified molecular transitions, 1 recombination line, and 120 unidentified transitions). This yields a spectral line density (lines per 100 MHz) of 6.06, which is much larger than any previous 3 mm line survey. We also present maps from the BIMA Array that indicate that most highly saturated species (3 or more H atoms) are products of grain chemistry or warm gas phase chemistry. Due to the nature of this survey we are able to probe each spectral line on multiple spatial scales, yielding information that could not be obtained by either instrument alone.Comment: 35 pages, 15 figures, to be published in The Astrophysical Journa

Perspective from a Younger Generation -- The Astro-Spectroscopy of Gisbert Winnewisser

Gisbert Winnewisser's astronomical career was practically coextensive with the whole development of molecular radio astronomy. Here I would like to pick out a few of his many contributions, which I, personally, find particularly interesting and put them in the context of newer results.Comment: 14 pages. (Co)authored by members of the MPIfR (Sub)millimeter Astronomy Group. To appear in the Proceedings of the 4th Cologne-Bonn-Zermatt-Symposium "The Dense Interstellar Medium in Galaxies" eds. S. Pfalzner, C. Kramer, C. Straubmeier, & A. Heithausen (Springer: Berlin

Observing a column-dependent zeta in dense interstellar sources: the case of the Horsehead Nebula

Context: Observations of small carbon-bearing molecules such as CCH, C4H, c-C3H2, and HCO in the Horsehead Nebula have shown these species to have higher abundances towards the edge of the source than towards the center. Aims: Given the determination of a wide range of values for zeta (s-1), the total ionization rate of hydrogen atoms, and the proposal of a column-dependent zeta(N_H), where N_H is the total column of hydrogen nuclei, we desire to determine if the effects of zeta(N_H) in a single object with spatial variation can be observable. We chose the Horsehead Nebula because of its geometry and high density. Method: We model the Horsehead Nebula as a near edge-on photon dominated region (PDR), using several choices for zeta, both constant and as a function of column. The column-dependent zeta functions are determined by a Monte Carlo model of cosmic ray penetration, using a steep power-law spectrum and accounting for ionization and magnetic field effects. We consider a case with low-metal elemental abundances as well as a sulfur-rich case. Results: We show that use of a column-dependent zeta(N_H) of 5(-15) s-1 at the surface and 7.5(-16) s-1 at Av = 10 on balance improves agreement between measured and theoretical molecular abundances, compared with constant values of zeta.Comment: 12 pages, 6 figures, 5 tables, accepted in A&

Spatial distribution of far-infrared rotationally excited CH⁺ and OH emission lines in the Orion Bar photodissociation region

Context. The methylidyne cation (CH+) and hydroxyl (OH) are key molecules in the warm interstellar chemistry, but their formation and excitation mechanisms are not well understood. Their abundance and excitation are predicted to be enhanced by the presence of vibrationally excited H2 or hot gas (~500−1000 K) in photodissociation regions (PDRs) with high incident far-ultraviolet (FUV) radiation field. The excitation may also originate in dense gas (>105 cm-3) followed by nonreactive collisions with H2, H, and electrons. Previous observations of the Orion Bar suggest that the rotationally excited CH+ and OH correlate with the excited CO, which is a tracer of dense and warm gas, and that formation pumping contributes to CH+ excitation.Aims. Our goal is to examine the spatial distribution of the rotationally excited CH+ and OH emission lines in the Orion Bar to establish their physical origin and main formation and excitation mechanisms.Methods. We present spatially sampled maps of the CH+ J = 3–2 transition at 119.8 μm and the OH Λ doublet at 84 μm in the Orion Bar over an area of 110″× 110″ with Herschel/PACS. We compare the spatial distribution of these molecules with those of their chemical precursors, C+ , O and H2, and tracers of warm and dense gas (high- J CO). We assess the spatial variation of the CH+ J = 2–1 velocity-resolved line profile at 1669 GHz with Herschel/HIFI spectrometer observations.Results. The OH and especially CH+ lines correlate well with the high-J CO emission and delineate the warm and dense molecular region at the edge of the Bar. While notably similar, the differences in the CH+ and OH morphologies indicate that CH+ formation and excitation are strongly related to the observed vibrationally excited H2. This, together with the observed broad CH+ line widths, indicates that formation pumping contributes to the excitation of this reactive molecular ion. Interestingly, the peak of the rotationally excited OH 84 μm emission coincides with a bright young object, proplyd 244–440, which shows that OH can be an excellent tracer of UV-irradiated dense gas.Conclusions. The spatial distribution of CH+ and OH revealed in our maps is consistent with previous modeling studies. Both formation pumping and nonreactive collisions in a UV-irradiated dense gas are important CH+ J = 3–2 excitation processes. The excitation of the OH Λ doublet at 84 μm is mainly sensitive to the temperature and density

TIMASSS: The IRAS16293-2422 Millimeter And Submillimeter Spectral Survey. I. Observations, calibration and analysis of the line kinematics

While unbiased surveys observable from ground-based telescopes have previously been obtained towards several high mass protostars, very little exists on low mass protostars. To fill up this gap, we carried out a complete spectral survey of the bands at 3, 2, 1 and 0.8 mm towards the solar type protostar IRAS16293-2422. The observations covered about 200\,GHz and were obtained with the IRAM-30m and JCMT-15m telescopes. Particular attention was devoted to the inter-calibration of the obtained spectra with previous observations. All the lines detected with more than 3 sigma and free from obvious blending effects were fitted with Gaussians to estimate their basic kinematic properties. More than 4000 lines were detected (with sigma \geq 3) and identified, yielding a line density of approximatively 20 lines per GHz, comparable to previous surveys in massive hot cores. The vast majority (~2/3) of the lines are weak and due to complex organic molecules. The analysis of the profiles of more than 1000 lines belonging 70 species firmly establishes the presence of two distinct velocity components, associated with the two objects, A and B, forming the IRAS16293-2422 binary system. In the source A, the line widths of several species increase with the upper level energy of the transition, a behavior compatible with gas infalling towards a ~1 Mo object. The source B, which does not show this effect, might have a much lower central mass of ~0.1 Mo. The difference in the rest velocities of both objects is consistent with the hypothesis that the source B rotates around the source A. This spectral survey, although obtained with single-dish telescope with a low spatial resolution, allows to separate the emission from 2 different components, thanks to the large number of lines detected. The data of the survey are public and can be retrieved on the web site http://www-laog.obs.ujf-grenoble.fr/heberges/timasss.Comment: 41 pages (26 pages of online Tables), 7 Tables and 6 Figure