This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

/pdf/the-hitran-2008-molecular-spectroscopic-database-1ud8clpej3.pdf

The HITRAN 2008 molecular spectroscopic database

Context. In analyses of stellar spectra and colours, and for the analysis of integrated light from galaxies, a homogeneous grid of model atmospheres of late-type stars and corresponding flux spectra is needed. Aims. We construct an extensive grid of spherically-symmetric models (supplemented with plane-parallel ones for the highest surface gravities), built on up-to-date atomic and molecular data, and make it available for public use. Methods. The most recent version of the MARCS program is used. Results. We present a grid of about 104 model atmospheres for stars with 2500K <= T-eff <= 8000 K, -1 <= log g = log (GM/R-2) <= 5 (cgs) with various masses and radii, -5 <= [Me/H] <= + 1, with [alpha/Fe] = 0.0 and 0.4 and different choices of C and N abundances. This includes "CN-cycled" models with C/N=4.07 (solar), 1.5 and 0.5, C/O ranging from 0.09 to (normally) 5.0 to also represent stars of spectral types R, S and N, and with 1.0 <= xi(t) = 5km s(-1). We also list thermodynamic quantities (T, P-g, P-e, rho, partial pressures of molecules, etc.) and provide them on the World Wide Web, as well as calculated fluxes in approximately 108 000 wavelength points. Underlying assumptions in addition to 1D stratification (spherical or plane-parallel) include hydrostatic equilibrium, mixing-length convection and local thermodynamic equilibrium. We discuss a number of general properties of the models, in particular in relation to the effects of changing abundances, of blanketing, and of sphericity. We illustrate positive and negative feedbacks between sphericity and molecular blanketing. We compare the models with those of other available grids and find excellent agreement with planeparallel models of Castelli & Kurucz (if convection is treated consistently) within the overlapping parameter range. Although there are considerable departures from the spherically-symmetric NextGen models, the agreement with more recent PHOENIX models is gratifying. Conclusions. The models of the grid show considerable regularities, but some interesting departures from general patterns occur for the coolest models due to the molecular opacities. We have tested a number of approximate "rules of thumb" concerning effects of blanketing and sphericity and often found them to be astonishingly accurate. Some interesting new phenomena have been discovered and explored, such as the intricate coupling between blanketing and sphericity, and the strong effects of carbon enhancement on metal-poor models. We give further details of line absorption data for molecules, as well as details of models and comparisons with observations in subsequent papers.

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A grid of MARCS model atmospheres for late-type stars. I. Methods and general properties

Since its first publication in 1973, the HITRAN molecular spectroscopic database has been recognized as the international standard for providing the necessary fundamental spectroscopic parameters for diverse atmospheric and laboratory transmission and radiance calculations. There have been periodic editions of HITRAN over the past decades as the database has been expanded and improved with respect to the molecular species and spectral range covered, the number of parameters included, and the accuracy of this information. The 1996 edition not only includes the customary line-by-line transition parameters familiar to HITRAN users, but also cross-section data, aerosol indices of refraction, software to filter and manipulate the data, and documentation. This paper describes the data and features that have been added or replaced since the previous edition of HITRAN. We also cite instances of critical data that are forthcoming.

https://hitran.org/media/refs/HITRAN-1996.pdf

The hitran molecular spectroscopic database and hawks (hitran atmospheric workstation): 1996 edition

A new molecular spectroscopic database for high-temperature modeling of the spectra of molecules in the gas phase is described. This database, called HITEMP, is analogous to the HITRAN database but encompasses many more bands and transitions than HITRAN for the absorbers H2O, CO2, CO, NO, and OH. HITEMP provides users with a powerful tool for a great many applications: astrophysics, planetary and stellar atmospheres, industrial processes, surveillance, non-local thermodynamic equilibrium problems, and investigating molecular interactions, to name a few. The sources and implementation of the spectroscopic parameters incorporated into HITEMP are discussed.

HITEMP, the high-temperature molecular spectroscopic database

Atomic and molecular data for the transitions of a number of astrophysically interesting species are summarized, in- cluding energy levels, statistical weights, Einstein A-coefficients and collisional rate coefficients. Available collisional data from quantum chemical calculations and experiments are extrapolated to higher energies (up to E/k ∼ 1000 K). These data, which are made publically available through the WWW at http://www.strw.leidenuniv.nl/∼moldata, are essential input for non-LTE line radiative transfer programs. An online version of a computer program for performing statistical equilibrium calcu- lations is also made available as part of the database. Comparisons of calculated emission lines using different sets of collisional rate coefficients are presented. This database should form an important tool in analyzing observations from current and future (sub)millimetre and infrared telescopes.

/pdf/an-atomic-and-molecular-database-for-analysis-of-4xud6qp5de.pdf

An atomic and molecular database for analysis of submillimetre line observations

A complete line list with improved accuracy for all the rotation-vibration transitions of the fundamental, first, and second overtone bands up to v = 20 and J = 149 of the gradual state X 1 Sigma(+) of the seven CO isotopes -- (12)C(16)O, (13)C(16)O, (12)C(17)O, (12)C(18)O, (13)C(18)O, (14)C(16)O, and (13)c(17)O -- is made available to the astronomical community. A line list of the pure rotational transitions up to v = 5 and J = 60 is also made available for these seven isotopes. This line list contains the transition frequency, the lower state energy, the Einstein A-value, the g f-value, the transition strength at 3000 K or 1000 K for the pure rotational transitions, the expectation value of the effective dipole moment operator, and the quantum numbers of each transition. Individual partition functions are reported in the temperature range of 500 to 10,000 K. This line list is available as four text files from the author using an anonymous file transfer protocol (ftp) transfer and in computer-readable form in the AAS CD-ROM Series, Vol. 3.

Infrared CO line for the X 1 Sigma(+) state

New spectral line parameters have been generated for the OH X 2 II–X 2 II transitions for Δv = 0.., 6, with v ′ = 0.., 10, and J max = 49.5. HITRAN type line parameter sets with low intensity cutoffs are provided at 296 and 6000 K. Recent improvements in line intensities and line positions have been incorporated into the calculations.

Updated line parameters for OH X2II–X2II (ν′',ν′) Transitions

We present 2338-2322 per centimeter (4.277-4.307 micrometer) infrared spectra of a number of N2-containing mixed molecular ices and demonstrate that the strength of the infrared "forbidden" band due to the N=N stretch near 2328 per centimeter (4.295 micrometer) is extremely sensitive to the composition of the ice. The strength of the 2328 per centimeter N2 fundamental is significantly enhanced relative to that of pure N2 ice when NH3, H2O, or CO2 are present, but is largely unaffected by the presence of CO, CH4 or O2. We use the laboratory data in coil junction with ISO data that probes several lines-of-sight through dense molecular clouds to place limits on the abundance of interstellar solid phase N2 and the composition of the ices. Deriving upper limits is complicated by the presence of overlapping absorptions due to CO2 gas in the clouds and, in some cases, to photospheric CO in the background star. These upper limits are just beginning to be low enough to constrain interstellar grain models and the composition of possible N2-bearing interstellar ices. We outline the search criteria that will need to be met if solid interstellar N2 is to be detected in the future. We also discuss some of the implications of the presence of warm CO2 gas along the lines-of-sight to embedded protostars and demonstrate that its presence may help resolve certain puzzles associated with the previously derived gas/solid CO2 ratios and the relative abundances of polar and nonpolar ices towards these objects. Finally, we briefly comment on the possible implications of these results for the interpretation of N2 detections on outer solar system bodies.

http://iopscience.iop.org/article/10.1086/319023/pdf

The Abundances of Solid N2 and Gaseous CO2 in Interstellar Dense Molecular Clouds

A set of 59 spectra of pure nitric acid was obtained at temperatures ranging from 236 to 294 K using path lengths from 10 to 50 cm and pressures from 0.05 to 1.1 Torr. No strong temperature dependencies were observed over the range of our measurements. Absorption coefficients and mean line-spacing parameters were determined at each 1-cm−1 interval in the three strong bands at 5.9, 7.5, and 1.3 μm by using a two-parameter random-band model. The resulting intensities for these bands are 1530 ± 100, 1383 ± 70, and 692 ± 35 cm−2 amagat−1, respectively. In addition, the absorption coefficients were determined in the three weak bands at 8.3, 13.2, and 15.5 μm. The band intensities derived are 44 ± 4, 45 ± 4, and 50 ± 5 cm−2 amagat−1, respectively.

Nitric-acid band intensities and band-model parameters from 610 to 1760 cm −1

The far-infrared rotational spectrum of H2(O-16) has been studied in the spectral range 25-112/cm to measure the foreign-gas collision-broadened linewidths. Measurements of 17 lines broadened by nitrogen and 21 lines broadened by oxygen are reported. The measurements were made at 297 K. From these data, the widths due to air broadening are obtained. The experimental results are compared with recent theoretical calculations and with the case of a constant linewidth, equal to the average experimental width. There is some correlation between the relative experimental linewidths and the theoretical predictions. However, the simple assumption of a constant value for the collision-broadened linewidths gives a better representation for the case of N2- and O2-broadened linewidths than do present detailed theoretical calculations.

David Goorvitch

Papers

Infrared CO line for the X 1 Sigma(+) state

Updated line parameters for OH X2II–X2II (ν′',ν′) Transitions

The Abundances of Solid N2 and Gaseous CO2 in Interstellar Dense Molecular Clouds

Nitric-acid band intensities and band-model parameters from 610 to 1760 cm −1

Foreign-gas collision broadening of the far-infrared spectrum of water vapor