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.

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The HITRAN 2008 molecular spectroscopic database

Extinction coefficients k(lambda) for water at 25 degrees C were determined through a broad spectral region by manually smoothing a point by point graph of k(lambda) vs wavelength lambda that was plotted for data obtained from a review of the scientific literature on the optical constants of water. Absorption bands representing k(lambda) were postulated where data were not available in the vacuum uv and soft x-ray regions. A subtractive Kramers-Kronig analysis of the combined postulated and smoothed portions of the k(lambda) spectrum provided the index of refraction n(lambda) for the spectral region 200 nm </= lambda </= 200 microm.

Optical Constants of Water in the 200-nm to 200-microm Wavelength Region.

We report calculations of electron inelastic mean free paths (IMFPs) of 50–2000 eV electrons for a group of 14 organic compounds: 26-n-paraffin, adenine, β-carotene, bovine plasma albumin, deoxyribonucleic acid, diphenylhexatriene, guanine, kapton, polyacetylene, poly(butene-1-sulfone), polyethylene, polymethylmethacrylate, polystyrene and poly(2-vinylpyridine). The computed IMFPs for these compounds showed greater similarities in magnitude and in the dependences on electron energy than was found in our previous calculations for groups of elements and inorganic compounds (Papers II and III in this series). Comparison of the IMFPs for the organic compounds with values obtained from our predictive IMFP formula TPP-2 showed systematic differences of ∼40%. These differences are due to the extrapolation of TPP-2 from the regime of mainly high-density elements (from which it had been developed and tested) to the low-density materials such as the organic compounds. We analyzed the IMFP data for the groups of elements and organic compounds together and derived a modified empirical expression for one of the parameters in our predictive IMFP equation. The modified equation, denoted TPP-2M, is believed to be satisfactory for estimating IMFPs in elements, inorganic compounds and organic compounds.

Calculations of electron inelastic mean free paths. III. Data for 15 inorganic compounds over the 50–2000 eV range

Optical generation of hot electrons in metallic structures and its potential as an alternative to conventional electron–hole separation in semiconductor devices are reviewed. The possibilities for realizing high conversion efficiencies with low fabrication costs are discussed along with challenges in terms of the materials, architectures and fabrication methods

Plasmon-induced hot-electron generation at nanoparticle/metal-oxide interfaces for photovoltaic and photocatalytic devices

The interaction of water with solid surfaces: Fundamental aspects

Optical constants of organic tholins produced in a simulated Titanian atmosphere: From soft x-ray to microwave frequencies

Amino acids derived from Titan tholins

Optical constants of dry films of deoxyribonucleic acid (sodium salt of calf thymus DNA) have been determined in the 2–82 eV region of photon energy. The extinction coefficient k was obtained by transmission measurements on thin films on metal mesh screens. The refractive index n in the nonabsorbing region 2–4 eV was obtained from critical‐angle measurements on films deposited on a sapphire semicylinder. To determine the value of n above 4 eV, a Kramers‐Kronig analysis was performed using the measured values of k. From these optical constants the complex dielectric function e and the energy‐loss function for charged particles −Im(1/e) were derived. The results exhibit, in addition to the well‐established absorptions around 4.7 and 6.5 eV, a strong absorption at 13.8 eV and a prominent peak in the energy‐loss function at 21.6 eV which exhibits a large degree of collective behavior.

Optical and dielectric properties of DNA in the extreme ultraviolet

Production and Optical Constants of Ice Tholin from Charged Particle Irradiation of (1:6) C2H6/H2O at 77 K

PAHs are important components of the interstellar medium and carbonaceous chondrites, but have never been identified in the reducing atmospheres of the outer solar system. Incompletely characterized complex organic solids (tholins) produced by irradiating simulated Titan atmospheres reproduce well the observed UV/visible/IR optical constants of the Titan stratospheric haze. Titan tholin and a tholin generated in a crude simulation of the atmosphere of Jupiter are examined by two-step laser desorption/multiphoton ionization mass spectrometry. A range of two- to four-ring PAHs, some with one to four alkylation sites, are identified, with a net abundance of about 0.0001 g/g (grams per gram) of tholins produced. Synchronous fluorescence techniques confirm this detection. Titan tholins have proportionately more one- and two-ring PAHs than do Jupiter tholins, which in turn have more four-ring and larger PAHs. The four-ringed PAH chrysene, prominent in some discussions of interstellar grains, is found in Jupiter tholins.

E. T. Arakawa

Papers

Optical constants of organic tholins produced in a simulated Titanian atmosphere: From soft x-ray to microwave frequencies

Amino acids derived from Titan tholins

Optical and dielectric properties of DNA in the extreme ultraviolet

Production and Optical Constants of Ice Tholin from Charged Particle Irradiation of (1:6) C2H6/H2O at 77 K

Polycyclic aromatic hydrocarbons in the atmospheres of Titan and Jupiter.