Computer Science – Databases
Scientific paper
Aug 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011apj...737...20f&link_type=abstract
The Astrophysical Journal, Volume 737, Issue 1, article id. 20 (2011).
Computer Science
Databases
1
Astrochemistry, Astronomical Databases: Miscellaneous, Ism: Molecules, Methods: Laboratory, Molecular Data
Scientific paper
The results of an experimental approach to the identification and characterization of the astrophysical weed vinyl cyanide in the 210-270 GHz region are reported. This approach is based on spectrally complete, intensity-calibrated spectra taken at more than 400 different temperatures in the 210-270 GHz region and is used to produce catalogs in the usual astrophysical format: line frequency, line strength, and lower state energy. As in our earlier study of ethyl cyanide, we also include the results of a frequency point-by-point analysis, which is especially well suited for characterizing weak lines and blended lines in crowded spectra. This study shows substantial incompleteness in the quantum-mechanical (QM) models used to calculate astrophysical catalogs, primarily due to their omission of many low-lying vibrational states of vinyl cyanide, but also due to the exclusion of perturbed rotational transitions. Unlike ethyl cyanide, the QM catalogs for vinyl cyanide include analyses of perturbed excited vibrational states, whose modeling is more challenging. Accordingly, we include an empirical study of the frequency accuracy of these QM models. We observe modest frequency differences for some vibrationally excited lines.
de Lucia Frank C.
Fortman Sarah M.
Medvedev Ivan R.
Neese Christopher F.
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