J/ApJS/209/23     Aminoacetonitrile transition frequencies      (Motoki+, 2013)

Submillimeter-wave spectrum of aminoacetonitrile and its deuterated isotopologues, possible precursors of the simplest amino acid glycine. Motoki Y., Tsunoda Y., Ozeki H., Kobayashi K. <Astrophys. J. Suppl. Ser., 209, 23 (2013)> =2013ApJS..209...23M 2013ApJS..209...23M
ADC_Keywords: Spectra, millimetric/submm ; Atomic physics Keywords: ISM: molecules - line: identification - molecular data - submillimeter: ISM - techniques: spectroscopic Abstract: Aminoacetonitrile, NH2-CH2_-CN, has been considered one of the important precursors of glycine, the simplest amino acid, and was identified in Sgr B2(N) by Belloche et al. (2008, Cat. J/A+A/482/179) based on their reanalysis of previous laboratory measurements. However, these laboratory measurements were limited to the 1mm wavelength region even for the normal species, and recent new radio telescopes like ALMA require rest frequencies in a higher frequency range. Therefore, we have extended the pure rotational spectra of aminoacetonitrile and its amino-hydrogen-deuterated isotopologues (NHDCH2CN and ND2CH2CN) up to 1.2THz and 0.6THz, respectively. Belloche et al. indicated that the normal species may have been misassigned in a previous microwave study by Bogey et al. (1990JMoSp.143..180B 1990JMoSp.143..180B). We found that two more b-type spectral transitions were misassigned, and all b-type transition frequencies above Ka=2 had to be remeasured. For isotopologues, spectra above 40 GHz were observed for the first time and higher order centrifugal distortion constants have been determined. The extension of the measurements helped improve the molecular constants. The errors in the frequency catalog data of normal and deuterated isotopologues are on the order of 100kHz up to 1.2THz and 0.6THz, respectively, which are precise enough for the future astronomical observations. Description: Millimeter- and submillimeter-wave spectra of aminoacetonitrile were recorded in the frequency range 124-1200GHz with the frequency-modulated spectrometer at Toho University. File Summary: -------------------------------------------------------------------------------- FileName Lrecl Records Explanations -------------------------------------------------------------------------------- ReadMe 80 . This file table1.dat 57 1754 Transition frequencies of aminoacetonitrile (NH2-CH2-CN) and its deuterated forms -------------------------------------------------------------------------------- See also: J/A+A/482/179 : Interferometric study of SgrB2(N) (Belloche+, 2008) Byte-by-byte Description of file: table1.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 8 A8 --- Iso Isotopologue (1) 10- 11 I2 --- J' [1/82] The upper J quantum number 13- 14 I2 --- Ka' [0/23] The upper Ka quantum number 16- 17 I2 --- Kc' [0/74] The upper Kc quantum number 19- 20 I2 --- J" [0/81] The lower J quantum number 22- 23 I2 --- Ka" [0/22] The lower Ka quantum number 25- 26 I2 --- Kc" [0/74] The lower Kc quantum number 28- 38 F11.3 MHz Freq [8820/1200905] The experimental rest frequency 40- 44 F5.3 MHz e_Freq [0.03/2] Uncertainty in Freq 46- 51 F6.3 MHz O-C [-1.6/2.3] The observed minus calculated value 53- 57 A5 --- Ref Data reference (2) -------------------------------------------------------------------------------- Note (1): Isotopologue as follows: NH2CH2CN = Aminoacetonitrile; NHDCH2CN = Mono-Deuterated Aminoacetonitrile; ND2CH2CN = Doubly-Deuterated Aminoacetonitrile . Note (2): Reference as follows: MOT13 = This study. PIK73 = Pickett, H. M., 1973, J. Mol. Spectrosc., 46, 335 (1973JMoSp..46..335P 1973JMoSp..46..335P). MT72 = MacDonald, J. N., & Tyler, J. K. 1972, J. Chem. Soc. Chem. Comm., 995. BRO77 = Brown, R. D., Godfrey, P. D., Ottrey, A. L., & Storey, J. W. V., 1977, J. Mol. Spectrosc., 68, 359 (1977JMoSp..68..359B 1977JMoSp..68..359B). BOG90 = Bogey, M., Dubus, H., & Guillemin, J. C.,1990, J. Mol. Spectrosc., 143, 180 (1990JMoSp.143..180B 1990JMoSp.143..180B). -------------------------------------------------------------------------------- History: From electronic version of the journal
(End) Greg Schwarz [AAS], Emmanuelle Perret [CDS] 15-Jan-2014
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