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

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

. Biomass burning (BB) is the second largest source of trace gases and the largest source of primary fine carbonaceous particles in the global troposphere. Many recent BB studies have provided new emission factor (EF) measurements. This is especially true for non-methane organic compounds (NMOC), which influence secondary organic aerosol (SOA) and ozone formation. New EF should improve regional to global BB emissions estimates and therefore, the input for atmospheric models. In this work we present an up-to-date, comprehensive tabulation of EF for known pyrogenic species based on measurements made in smoke that has cooled to ambient temperature, but not yet undergone significant photochemical processing. All EFs are converted to one standard form (g compound emitted per kg dry biomass burned) using the carbon mass balance method and they are categorized into 14 fuel or vegetation types. Biomass burning terminology is defined to promote consistency. We compile a large number of measurements of biomass consumption per unit area for important fire types and summarize several recent estimates of global biomass consumption by the major types of biomass burning. Post emission processes are discussed to provide a context for the emission factor concept within overall atmospheric chemistry and also highlight the potential for rapid changes relative to the scale of some models or remote sensing products. Recent work shows that individual biomass fires emit significantly more gas-phase NMOC than previously thought and that including additional NMOC can improve photochemical model performance. A detailed global estimate suggests that BB emits at least 400 Tg yr−1 of gas-phase NMOC, which is almost 3 times larger than most previous estimates. Selected recent results (e.g. measurements of HONO and the BB tracers HCN and CH3CN) are highlighted and key areas requiring future research are briefly discussed.

/pdf/emission-factors-for-open-and-domestic-biomass-burning-for-20tklb2vkv.pdf

Emission factors for open and domestic biomass burning for use in atmospheric models

We describe in this paper the modifications, improvements, and enhancements to the HITRAN molecular absorption database that have occurred in the two editions of 1991 and 1992 The current database includes line parameters for 31 species and their isotopomers that are significant for terrestrial atmospheric studies This line-by-line portion of HITRAN presently contains about 709,000 transitions between 0 and 23,000/cm and contains three molecules not present in earlier versions: COF2, SF6, and H2S The HITRAN compilation has substantially more information on chlorofluorocarbons and other molecular species that exhibit dense spectra which are not amenable to line-by-line representation The user access of the database has been advanced, and new media forms are now available for use on personal computers

The hitran molecular database: editions of 1991 and 1992

https://research.vu.nl/ws/files/2485742/224210.pdf

Cavity ring-down spectroscopy of (H2O)-O-17 in the range 16570-17125 cm(-1)

High-sensitivity Intracavity Laser Absorption Spectroscopy (ICLAS) is used to measure the high resolution absorption spectrum of H218O between 12,580 and 13,550 cm−1. This spectral region covers the 3v+δ polyad of very weak absorption. Four isotopologues of water (H218O, H216O, H217O, HD18O) are found to contribute to the observed spectrum. Spectrum analysis is performed with the aid of variational calculations and allowed for assigning 1126 lines belonging to H218O, while only 160 H218O lines are included in the HITRAN-2008 database. Altogether, 823 accurate energy levels of H218O are determined from transitions attributed to 26 upper vibrational states, 438 of them being reported for the first time. New information includes energy levels of four newly observed vibrational states of H218O: (2 4 0), (1 4 1), (0 4 2) and (2 3 1) at 13,167.718, 13,212.678, 13,403.71 and 15,073.975 cm−1, respectively. H218O transitions involving highly excited bending states like (1 6 0), (0 6 1), (0 7 1), (1 7 0), (0 9 0) and even (0 10 0) have been identified as a result of an intensity borrowing from stronger bands via high-order resonance interactions. Thirty-six new energy levels of H217O, present with a 2% relative concentration in our sample, could be determined. The rotational structure of the (0 2 3) state of HD18O at 13,245.497 cm−1 is also reported for the first time.

High sensitivity ICLAS of H218O in the 12,580–13,550 cm−1 transparency window

This work considers the verification, systematization, and publication in the W@DIS information system of all published data acquired at the moment by various authors from the analysis of high resolution, ro-vibrational spectra of hydrogen sulfide and its isotopologues. The system interface allows prompt and efficient search for any required information by specified criteria. The W@DIS information system, in its present state, contains the most complete and reliable information on ro-vibrational transitions and energy levels of the hydrogen sulfide molecule as compared with other databases. The data systematized in this work may serve as a source of information for problems of theoretical spectroscopy and chemistry, atmospheric problems, and other applications.

Information system for molecular spectroscopy. 5. Ro-vibrational transitions and energy levels of the hydrogen sulfide molecule

The high resolution absorption spectrum of monodeuterated water, HDO, has been recorded by Intracavity Laser Absorption Spectroscopy (ICLAS) in the 13,020–14,115 cm−1 region dominated by the 4ν3 band. The achieved noise equivalent absorption (αmin∼10−9 cm−1) allowed detecting transitions with line strengths as small as 2×10−27 cm/molecule which is about 10 times lower than the smallest line intensities previously detected in the region. The rovibrational assignment of the spectrum was based on the results of the variational calculations of Schwenke and Partridge (SP) as well as recent calculations using a new potential energy surface performed by Voronin, Tolchenov and Tennyson (VTT). 2157 transitions involving 21 upper vibrational states were assigned to HD16O while only four bands were previously reported in the region. A set of 157 new energy levels could be derived. It includes rotational levels of several highly excited bending states, in particular the (0 11 0) pure bending state. For some states like the (1 0 3) and (0 2 3) Fermi dyad, effective Hamiltonian modelling was needed to establish the vibrational assignments of some rotational levels. VTT calculations were found to significantly improve the SP results, the rms deviation of the calculated and observed energies being decreased from 0.23 to 0.06 cm−1. Finally, 79 transitions of the 4ν3 band of the HD18O isotopologue were assigned, leading to the derivation of 48 levels, which are the most excited energy levels reported so far for this isotopologue.

/pdf/iclas-of-hdo-between-13-020-and-14-115-cm-1-2lw7pt6564.pdf

Olga V. Naumenko

Papers

Cavity ring-down spectroscopy of (H2O)-O-17 in the range 16570-17125 cm(-1)

High sensitivity ICLAS of H218O in the 12,580–13,550 cm−1 transparency window

Information system for molecular spectroscopy. 5. Ro-vibrational transitions and energy levels of the hydrogen sulfide molecule

ICLAS of HDO between 13,020 and 14,115 cm -1

High sensitivity ICLAS of D2O between 12450 and 12850 cm- 1