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J/A+A/600/A44       Spectral line list of hydantoin               (Ozeki+, 2017)

Millimeter-wave spectroscopy of hydantoin, a possible precursor of glycine. Ozeki H., Miyahara R., Ihara H., Todaka S., Kobayashi K., Ohishi M. <Astron. Astrophys. 600, A44 (2017)> =2017A&A...600A..44O (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics Keywords: line identification - molecular data - ISM: molecules - submillimeter ISM Abstract: Hydantoin (Imidazolidine-2, 4-dione, C3H4N2O2) is a five-membered heterocyclic compound that is known to arise from prebiotic molecules such as glycolic acid and urea, and to give the simplest amino acid, glycine, by hydrolysis under acidic condition. The gas chromatography combined with the mass spectrometry of carbonaceous chondrites lead to the detection of this molecule as well as several kinds of amino acids. The lack of spectroscopic information, especially on the rotational constants, has prevented us from conducting a search for hydantoin in interstellar space. If a rotational temperature of 100K is assumed as the kinetic temperature of a star-forming region, the spectral intensity is expected to be at its maximum in the millimeter-wave region. Laboratory spectroscopy of hydantoin in the millimeter-wave region is the most important in providing accurate rest frequencies to be used for astronomical research. Pure rotational spectra of hydantoin were observed in the millimeter-wave region using the frequency modulated microwave spectrometer at Toho University. Solid hydantoin was heated to around 150°C to provide appropriate vapor pressure. Quantum chemical calculations suggest that the permanent dipole moment of this molecule lies almost along the b-molecular axis, so that spectral search for b-type R-branch transition has been conducted. Description: Spectral line list of hydantoin up to 500GHz is catalogued for the ground and the first and the second vibrationally excited states. Spectral intensity at T=100K is calculated with the permanent dipole moment of 0.169 and 2.655-Debyes for along a- and b- molecular axis, respectively, and for all vibrational levels. File Summary:
FileName Lrecl Records Explanations
ReadMe 80 . This file line.dat 63 53165 *Spectral line list of hydantoin
Note on line.dat: This spectral line list is made by using SPFIT/SPCAT suite of programs (Pickett, H. M., 1991, J. Mol. Spectrosc. 148, 371).
Byte-by-byte Description of file: line.dat
Bytes Format Units Label Explanations
3- 13 F11.4 MHz Freq Frequency of the line 14- 21 F8.4 MHz e_Freq Estimated error 22- 29 F8.4 [nm2.MHz] logInt Base 10 logarithm of the integrated intensity in units of nm2.MHz 30- 39 F10.4 cm-1 Elow Lower state energy in wavenumbers 40- 42 I3 --- Gup Upper state degeneracy 44- 45 A2 --- N' Upper state rotational quantum number 46- 47 I2 --- Ka' Upper state rotational quantum number 48- 49 A2 --- Kc' Upper state rotational quantum number 50- 51 I2 --- V' Upper state vibrational quantum number 56- 57 A2 --- N" Lower state rotational quantum number 58- 59 I2 --- Ka" Lower state rotational quantum number 60- 61 A2 --- Kc" Lower state rotational quantum number 62- 63 I2 --- V" Lower state vibrational quantum number
Acknowledgements: Hiroyuki Ozeki, ozeki(at)env.sci.toho-u.ac.jp
(End) Hiroyuki Ozeki [Toho University], Patricia Vannier [CDS] 08-Mar-2017
The document above follows the rules of the Standard Description for Astronomical Catalogues.From this documentation it is possible to generate f77 program to load files into arrays or line by line

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