AN EMPIRICAL SPECTROSCOPIC DATABASE FOR ACETYLENE IN THE REGIONS OF 5850-9415 CM−1

Campargue, Alain

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https://hdl.handle.net/2142/97141 Copy

Description

Title

AN EMPIRICAL SPECTROSCOPIC DATABASE FOR ACETYLENE IN THE REGIONS OF 5850-9415 CM−1

Author(s)

Campargue, Alain

Contributor(s)

Lyulin, Oleg

Issue Date

6/20/2017

Keyword(s)

Small molecules

Abstract

Six studies have been recently devoted to a systematic analysis of the high-resolution near infrared absorption spectrum of acetylene recorded by Cavity Ring Down spectroscopy (CRDS) in Grenoble and by Fourier-transform spectroscopy (FTS) in Brussels and Hefei. On the basis of these works, in the present contribution, we construct an empirical database for acetylene in the 5850 - 9415 $wn$ region excluding the 6341-7000 $wn$ interval corresponding to the very strong nub{1}+ nub{3} manifold. The database gathers and extends information included in our CRDS and FTS studies. In particular, the intensities of about 1700 lines measured by CRDS in the 7244-7920 $wn$ are reported for the first time together with those of several bands of $^{12}$C$^{13}$CH$_{2}$ present in natural isotopic abundance in the acetylene sample. _x000d_ The Herman-Wallis coefficients of most of the bands are derived from a fit of the measured intensity values. A recommended line list is provided with positions calculated using empirical spectroscopic parameters of the lower and upper energy vibrational levels and intensities calculated using the derived Herman-Wallis coefficients. This approach allows completing the experimental list by adding missing lines and improving poorly determined positions and intensities. As a result the constructed line list includes a total of 10973 lines belonging to 146 bands of $^{12}$C$_{2}$H$_{2}$ and 29 bands of $^{12}$C$^{13}$CH$_{2}$. For comparison the HITRAN2012 database in the same region includes 869 lines of 14 bands, all belonging to $^{12}$C$_{2}$H$_{2}$. Our weakest lines have an intensity on the order of 10$^{-29}$ cm/molecule,about three orders of magnitude smaller than the HITRAN intensity cut off. Line profile parameters are added to the line list which is provided in HITRAN format._x000d_ The comparison to the HITRAN2012 line list or to results obtained using the global effective operator approach is discussed in terms of completeness and accuracy._x000d_

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/97141

DOI

10.15278/isms.2017.TK04

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