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

Context. The discovery of amino acids in meteorites fallen to Earth and the detection of glycine, the simplest of them, in samples returned from a comet to Earth strongly suggest that the chemistry of the interstellar medium is capable of producing such complex organic molecules and that they may be widespread in our Galaxy. Aims. Our goal is to investigate the degree of chemical complexity that can be reached in the interstellar medium, in particular in dense star-forming regions. Methods. We performed an unbiased, spectral line survey toward Sgr B2(N) and (M), two regions where high-mass stars are formed, with the IRAM 30 m telescope in the 3 mm atmospheric transmission window. Partial surveys at 2 and 1.3 mm were performed in parallel. The spectra were analyzed with a simple radiative transfer model that assumes local thermodynamic equilibrium but takes optical depth effects into account. Results. About 3675 and 945 spectral lines with a peak signal-to-noise ratio higher than 4 are detected at 3 mm toward Sgr B2(N) and (M), i.e. about 102 and 26 lines per GHz, respectively. This represents an increase by about a factor of two over previous surveys of Sgr B2. About 70% and 47% of the lines detected toward Sgr B2(N) and (M) are identified and assigned to 56 and 46 distinct molecules as well as to 66 and 54 less abundant isotopologues of these molecules, respectively. In addition, we report the detection of transitions from 59 and 24 catalog entries corresponding to vibrationally or torsionally excited states of some of these molecules, respectively, up to a vibration energy of 1400 cm-1 (2000 K). Excitation temperatures and column densities were derived for each species but should be used with caution. The rotation temperatures of the detected complex molecules typically range from ~50 to 200 K. Among the detected molecules, aminoacetonitrile, n- propyl cyanide, and ethyl formate were reported for the first time in space based on this survey, as were five rare isotopologues of vinyl cyanide, cyanoacetylene, and hydrogen cyanide. We also report the detection of transitions from within twelve new vibrationally or torsionally excited states of known molecules. Absorption features produced by diffuse clouds along the line of sight are detected in transitions with low rotation quantum numbers of many simple molecules and are modeled with ~30–40 velocity components with typical linewidths of ~3–5 km s-1 . Conclusions. Although the large number of unidentified lines may still allow future identification of new molecules, we expect most of these lines to belong to vibrationally or torsionally excited states or to rare isotopologues of known molecules for which spectroscopic predictions are currently missing. Significant progress in extending the inventory of complex organic molecules in Sgr B2(N) and deriving tighter constraints on their location, origin, and abundance is expected in the near future thanks to an ongoing spectral line survey at 3 mm with ALMA in its cycles 0 and 1. The present single-dish survey will serve as a solid basis for the line identification and analysis of such an interferometric survey.

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Complex organic molecules in the interstellar medium: IRAM 30 m line survey of Sagittarius B2(N) and (M)

In search of novel detectors of electromagnetic radiation at terahertz frequencies, field-effect transistors (FETs) have recently gained much attention. The current literature studies them with respect to the excitation of plasma waves in the two-dimensional channel. Circuit aspects have been taken into account only to a limited degree. In this paper, we focus on embedding silicon FETs in a proper circuitry to optimize their responsivity to terahertz radiation. This includes impedance-matched antenna coupling and amplification of the rectified signal. Special attention is given to the investigation of high-frequency short-circuiting of the gate and drain contacts by a capacitive shunt, a common approach of high-frequency electronics to induce resistive mixing in transistors. We theoretically study the effect of shunting in the framework of the Dyakonov–Shur plasma-wave theory, with the following key results. In the quasistatic limit, the capacitive shunt induces the longitudinal high-frequency field neede...

Rational design of high-responsivity detectors of terahertz radiation based on distributed self-mixing in silicon field-effect transistors

This review provides a computational chemist's perspective of rotational spectroscopy and discusses the theoretical background and application of state-of-the-art quantum-chemical methods for the accurate determination of the relevant spectroscopic parameters.

Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy

Rotational spectrum of trans–trans diethyl ether in the ground and three excited vibrational states

A new fast scan submillimeter spectroscopic technique (FASSST) has been developed which uses a voltage tunable backward wave oscillator (BWO) as a primary source of radiation, but which uses fast scan (∼105 Doppler limited resolution elements/s) and optical calibration methods rather than the more traditional phase or frequency lock techniques. Among its attributes are (1) absolute frequency calibration to ∼1/10 of a Doppler limited gaseous absorption linewidth (<0.1 MHz, 0.000 003 cm−1), (2) high sensitivity, and (3) the ability to measure many thousands of lines/s. Key elements which make this system possible include the excellent short term spectral purity of the broadly (∼100 GHz) tunable BWO; a very low noise, rapidly scannable high voltage power supply; fast data acquisition; and software capable of automated calibration and spectral line measurement. In addition to the unique spectroscopic power of the FASSST system, its implementation is simple enough that it has the prospect of impacting a wide range of scientific problems.

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S. P. Belov

Papers

A fast scan submillimeter spectroscopic technique

Sub-Doppler Measurements on the Rotational Transitions of Carbon Monoxide☆

Precise Measurement of the Pure Rotational Submillimeter-Wave Spectrum of HCl and DCl in Their v= 0, 1 States

Sub-Doppler Measurements of the Rotational Spectrum of (13)C(16)O.

FASSST: A New Gas-Phase Analytical Tool