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

Blackbody-radiation-assisted molecular laser cooling

The translational motion of molecular ions can be effectively cooled sympathetically to temperatures below 100 mK in ion traps through Coulomb interactions with laser-cooled atomic ions. The distribution of internal rovibrational states, however, gets in thermal equilibrium with the typically much higher temperature of the environment within tens of seconds. We consider a concept for rotational cooling of such internally hot, but translationally cold heteronuclear diatomic molecular ions. The scheme relies on a combination of optical pumping from a few specific rotational levels into a ``dark state'' with redistribution of rotational populations mediated by blackbody radiation.Comment: 4 pages, 5 figure

Speckle interferometry and radiative transfer modelling of the Wolf-Rayet star WR 118

WR 118 is a highly evolved Wolf-Rayet star of the WC10 subtype surrounded by a permanent dust shell absorbing and re-emitting in the infrared a considerable fraction of the stellar luminosity. We present the first diffraction-limited 2.13micron speckle interferometric observations of WR 118 with 73 mas resolution. The speckle interferograms were obtained with the 6m telescope at the Special Astrophysical Observatory. The two-dimensional visibility function of the object does not show any significant deviation from circular symmetry. The visibility curve declines towards the diffraction cut-off frequency to 0.66 and can be approximated by a linear function. Radiative transfer calculations have been carried out to model the spectral energy distribution, given in the range of 0.5-25micron, and our 2.13micron visibility function, assuming spherical symmetry of the dust shell. Both can be fitted with a model containing double-sized grains (``small'' and ``large'') with the radii of a = 0.05micron and 0.38micron, and a mass fraction of the large grains greater than 65%. Alternatively, a good match can be obtained with the grain size distribution function n(a)~a^-3, with a ranging between 0.005micron and 0.6micron. At the inner boundary of the modelled dust shell (angular diameter (17 +/- 1)mas), the temperature of the smallest grains and the dust shell density are 1750K +/- 100K and (1 +/- 0.2)x10^-19 g/cm^3, respectively. The dust formation rate is found to be (1.3 +/- 0.5)x10^-7 Msol/yr assuming Vwind = 1200 km/s.Comment: 6 pages including 4 PostScript figures, also available from http://www.mpifr-bonn.mpg.de/div/ir-interferometry/publications.html; accepted for publication in Astronomy & Astrophysic

Dust Dynamics in Compressible MHD Turbulence

We calculate the relative grain-grain motions arising from interstellar magnetohydrodynamic (MHD) turbulence. The MHD turbulence includes both fluid motions and magnetic fluctuations. While the fluid motions accelerate grains through hydro-drag, the electromagnetic fluctuations accelerate grains through resonant interactions. We consider both incompressive (Alfv\'{e}n) and compressive (fast and slow) MHD modes and use descriptions of MHD turbulence obtained in Cho & Lazarian (2002). Calculations of grain relative motion are made for realistic grain charging and interstellar turbulence that is consistent with the velocity dispersions observed in diffuse gas, including cutoff of the turbulence from various damping processes. We show that fast modes dominate grain acceleration, and can drive grains to supersonic velocities. Grains are also scattered by gyroresonance interactions, but the scattering is less important than acceleration for grains moving with sub-Alfv\'{e}nic velocities. Since the grains are preferentially accelerated with large pitch angles, the supersonic grains will be aligned with long axes perpendicular to the magnetic field. We compare grain velocities arising from MHD turbulence with those arising from photoelectric emission, radiation pressure and H$_{2}$ thrust. We show that for typical interstellar conditions turbulence should prevent these mechanisms from segregating small and large grains. Finally, gyroresonant acceleration is bound to preaccelerate grains that are further accelerated in shocks. Grain-grain collisions in the shock may then contribute to the overabundance of refractory elements in the composition of galactic cosmic rays.Comment: 15 pages, 17 figure

VLT-ISAAC 3-5 micron spectroscopy of embedded young low-mass stars. III. Intermediate-mass sources in Vela

We performed a spectroscopic survey toward five intermediate-mass class I YSOs located in the Southern Vela molecular cloud in the L and M bands at resolving powers 600-800 up to 10,000, using the Infrared Spectrometer and Array Camera mounted on the VLT-ANTU. Lower mass companion objects were observed simultaneously in both bands. Solid H2O at 3 micron is detected in all sources, including the companion objects. CO ice at 4.67 micron is detected in a few main targets and one companion object. One object (LLN 19) shows little CO ice but strong gas-phase CO ro-vibrational lines in absorption. The CO ice profiles are different from source to source. The amount of water ice and CO ice trapped in a water-rich mantle may correlate with the flux ratio at 12 and 25 micron. The abundance of H2O-rich CO likely correlates with that of water ice. A weak feature at 3.54 mu attributed to solid CH3OH and a broad feature near 4.62 mu are observed toward LLN17, but not toward the other sources. The derived abundances of solid CH3OH and OCN- are ~10% and ~1% of the H2O ice abundance respectively. The H2O optical depths do not show an increase with envelope mass, nor do they show lower values for the companion objects compared with the main protostar. The line-of-sight CO ice abundance does not correlate with the source bolometric luminosity. Comparison of the solid CO profile toward LLN17, which shows an extremely broad CO ice feature, and that of its lower mass companion at a few thousand AU, which exhibits a narrow profile, together with the detection of OCN- toward LLN17 provide direct evidences for local thermal processing of the ice.Comment: Replace wrong files. Accepted by A&A, 22 pages, 18 figure

Effects of CO2 on H2O band profiles and band strengths in mixed H2O:CO2 ices

H2O is the most abundant component of astrophysical ices. In most lines of sight it is not possible to fit both the H2O 3 um stretching, the 6 um bending and the 13 um libration band intensities with a single pure H2O spectrum. Recent Spitzer observations have revealed CO2 ice in high abundances and it has been suggested that CO2 mixed into H2O ice can affect relative strengths of the 3 um and 6 um bands. We used laboratory infrared transmission spectroscopy of H2O:CO2 ice mixtures to investigate the effects of CO2 on H2O ice spectral features at 15-135 K. We find that the H2O peak profiles and band strengths are significantly different in H2O:CO2 ice mixtures compared to pure H2O ice. In all H2O:CO2 mixtures, a strong free-OH stretching band appears around 2.73 um, which can be used to put an upper limit on the CO2 concentration in the H2O ice. The H2O bending mode profile also changes drastically with CO2 concentration; the broad pure H2O band gives way to two narrow bands as the CO2 concentration is increased. This makes it crucial to constrain the environment of H2O ice to enable correct assignments of other species contributing to the interstellar 6 um absorption band. The amount of CO2 present in the H2O ice of B5:IRS1 is estimated by simultaneously comparing the H2O stretching and bending regions and the CO2 bending mode to laboratory spectra of H2O, CO2, H2O:CO2 and HCOOH.Comment: 12 pages, 11 figures, accepted by A&

New Interstellar Dust Models Consistent with Extinction, Emission, and Abundance Constraints

We present new interstellar dust models which have been derived by simultaneously fitting the far-ultraviolet to near-infrared extinction, the diffuse infrared (IR) emission and, unlike previous models, the elemental abundance constraints on the dust for different interstellar medium abundances, including solar, F and G star, and B star abundances. The fitting problem is a typical ill-posed inversion problem, in which the grain size distribution is the unknown, which we solve by using the method of regularization. The dust model contains various components: PAHs, bare silicate, graphite, and amorphous carbon particles, as well as composite particles containing silicate, organic refractory material, water ice, and voids. The optical properties of these components were calculated using physical optical constants. As a special case, we reproduce the Li & Draine (2001) results, however their model requires an excessive amount of silicon, magnesium, and iron to be locked up in dust: about 50 ppm (atoms per million of H atoms), significantly more than the upper limit imposed by solar abundances of these elements, about 34, 35, and 28 ppm, respectively. A major conclusion of this paper is that there is no unique interstellar dust model that simultaneously fits the observed extinction, diffuse IR emission, and abundances constraints.Comment: 70 pages, 23 figures, accepted for publication in the Astrophysical Journal Supplemen

Understanding the Spectral Energy Distributions of the Galactic Star Forming Regions IRAS 18314-0720, 18355-0532 & 18316-0602

Embedded Young Stellar Objects (YSO) in dense interstellar clouds is treated self-consistently to understand their spectral energy distributions (SED). Radiative transfer calculations in spherical geometry involving the dust as well as the gas component, have been carried out to explain observations covering a wide spectral range encompassing near-infrared to radio continuum wavelengths. Various geometric and physical details of the YSOs are determined from this modelling scheme. In order to assess the effectiveness of this self-consistent scheme, three young Galactic star forming regions associated with IRAS 18314-0720, 18355-0532 and 18316-0602 have been modelled as test cases. They cover a large range of luminosity ($\approx$ 40). The modelling of their SEDs has led to information about various details of these sources, e.g. embedded energy source, cloud structure & size, density distribution, composition & abundance of dust grains etc. In all three cases, the best fit model corresponds to the uniform density distribution.Comment: AAMS style manuscript with 3 tables (in a separate file) and 4 figures. To appear in Journal of Astronophysics & Astronom

Late-life alcohol consumption and 20-year mortality

Background: Growing epidemiological evidence indicates that moderate alcohol consumption is associated with reduced total mortality among middle-aged and older adults. However, the salutary effect of moderate drinking may be overestimated owing to confounding factors. Abstainers may include former problem drinkers with existing health problems and may be atypical compared to drinkers in terms of sociodemographic and social-behavioral factors. The purpose of this study was to examine the association between alcohol consumption and all-cause mortality over 20 years among 1,824 older adults, controlling for a wide range of potential confounding factors associated with abstention. Methods: The sample at baseline included 1,824 individuals between the ages of 55 and 65. The database at baseline included information on daily alcohol consumption, sociodemographic factors, former problem drinking status, health factors, and social-behavioral factors. Abstention was defined as abstaining from alcohol at baseline. Death across a 20-year follow-up period was confirmed primarily by death certificate. Results: Controlling only for age and gender, compared to moderate drinkers, abstainers had a more than 2 times increased mortality risk, heavy drinkers had 70% increased risk, and light drinkers had 23% increased risk. A model controlling for former problem drinking status, existing health problems, and key sociodemographic and social-behavioral factors, as well as for age and gender, substantially reduced the mortality effect for abstainers compared to moderate drinkers. However, even after adjusting for all covariates, abstainers and heavy drinkers continued to show increased mortality risks of 51 and 45%, respectively, compared to moderate drinkers. Conclusions: Findings are consistent with an interpretation that the survival effect for moderate drinking compared to abstention among older adults reflects 2 processes. First, the effect of confounding factors associated with alcohol abstention is considerable. However, even after taking account of traditional and nontraditional covariates, moderate alcohol consumption continued to show a beneficial effect in predicting mortality risk