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J/ApJS/233/11    Cyanoacetylene (HC3N) infrared spectrum    (Bizzocchi+, 2017)

Rotational and high-resolution infrared spectrum of HC3N: global ro-vibrational analysis and improved line catalog or astrophysical Observations. Bizzocchi L., Tamassia F., Laas J., Giuliano B.M., Degli Esposti C., Dore L., Melosso M., Cane E., Pietropolli Charmet A., Muller H.S.P., Spahn H., Belloche A., Caselli P., Menten K.M., Garrod R.T. <Astrophys. J. Suppl. Ser., 233, 11-11 (2017)> =2017ApJS..233...11B (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics ; Spectra, infrared ; Spectra, millimetric/submm Keywords: infrared: ISM; ISM: molecules; line: identification; molecular data radio lines: ISM Abstract: HC3N is a ubiquitous molecule in interstellar environments, from external galaxies to Galactic interstellar clouds, star-forming regions, and planetary atmospheres. Observations of its rotational and vibrational transitions provide important information on the physical and chemical structures of the above environments. We present the most complete global analysis of the spectroscopic data of HC3N. We recorded the high-resolution infrared spectrum from 450 to 1350cm-1, a region dominated by the intense ν5 and ν6 fundamental bands, located at 660 and 500cm-1, respectively, and their associated hot bands. Pure rotational transitions in the ground and vibrationally excited states were recorded in the millimeter and submillimeter regions in order to extend the frequency range so far considered in previous investigations. All of the transitions from the literature and from this work involving energy levels lower than 1000cm-1 were fitted together to an effective Hamiltonian. Because of the presence of various anharmonic resonances, the Hamiltonian includes a number of interaction constants, in addition to the conventional rotational and vibrational l-type resonance terms. The data set contains about 3400 ro-vibrational lines of 13 bands and some 1500 pure rotational lines belonging to 12 vibrational states. More than 120 spectroscopic constants were determined directly from the fit, without any assumption deduced from theoretical calculations or comparisons with similar molecules. An extensive list of highly accurate rest frequencies was produced to assist astronomical searches and data interpretation. These improved data enabled a refined analysis of the ALMA observations toward Sgr B2(N2). Description: A substantial amount of new spectroscopic data of HC3N was collected in four laboratories located in Bologna, Italy and in Cologne and Munich, Germany. The infrared spectra in the 450-1100cm-1 range were recorded in Bologna using a Bomem DA3.002 Fourier-transform spectrometer. The resolution was generally 0.004cm-1. New mm-wave spectra in selected frequency intervals between 80 and 400GHz were observed in Bologna using a frequency-modulation (FM) mm-wave spectrometer whose details are reported elsewhere (see, e.g., Bizzocchi+ 2016, J/ApJ/820/L26). Further measurements of the sub-mm-wave spectrum of HC3N in the 200-690GHz frequency range were carried out at the Center for Astrochemical Studies (MPE Garching). The measurements performed in Cologne were carried out with leftover samples from previous studies (Yamada+ 1995ZNatA..50.1179Y ; Thorwirth+ 2000JMoSp.204..133T). Further measurements were made using the Cologne Terahertz Spectrometer. See section 2 for further explanations. File Summary:
FileName Lrecl Records Explanations
ReadMe 80 . This file table4.dat 117 4898 Measured line positions and least-squares residuals for HC3N table9.dat 113 15995 Computed rest frequencies for HC3N
See also: J/ApJ/519/697 : Molecular study of HC3NH++e- (Osamura+, 1999) J/A+A/559/A51 : HC3N in Orion KL (Esplugues+, 2013) J/A+A/582/A91 : NGC 4418 ALMA mm-wave spectral scan (Costagliola+, 2015) J/ApJ/820/L26 : J=1-0 transitions of argonium (ArH+) (Bizzocchi+, 2016) J/A+A/602/A34 : HOCO+ and DOCO+ rest frequencies (Bizzocchi+, 2017) J/A+A/605/A57 : SOLIS. II. OMC2-FIR4 HC3N and HC5N images (Fontani+, 2017) Byte-by-byte Description of file: table4.dat
Bytes Format Units Label Explanations
1- 38 A38 --- Type Transition type 40- 42 I3 --- Jup [0/118] Upper rotational quantum number 44 I1 --- l5up [0/1] Upper "l5" vibrational quantum number 46 I1 --- l6up [0/2] Upper "l6" vibrational quantum number 48- 49 I2 --- l7up [-2/4] Upper "l7" vibrational quantum number 51- 55 A5 --- kup Upper "k" vibrational quantum number or parity label (1) 57- 59 I3 --- Jlo [0/117] Lower rotational quantum number 61 I1 --- l5lo [0/1] Lower "l5" vibrational quantum number 63 I1 --- l6lo [0/2] Lower "l6" vibrational quantum number 65- 66 I2 --- l7lo [-2/4] Lower "l7" vibrational quantum number 68- 72 A5 --- klo Lower "k" vibrational quantum number or parity label (1) 74- 88 F15.7 --- Obs [15.4/1.1e+06] Measured line position 90- 99 F10.7 --- Res [-0.9/1] Least-squares residual 101-107 F7.5 --- sigma [3e-05/1] Assumed uncertainty for weight calculation 109-112 A4 --- Unit Unit used; frequency in MHz or wavenumber in cm-1 114-117 A4 --- Ref Source for bibliography data (2)
Note (1): kup=l5up+l6up+l7up and klo=l5lo+l6lo+l7lo. Note (2): Source as follows: dZ71 = de Zafra (1971ApJ...170..165D), C77 = Creswell et al. (1977JMoSp..65..420C), C91 = Chen et al. (1991IJIMW..12..987C), Y95 = Yamada et al. (1985JMoSp.112..347Y), M00 = Mbosei et al. (2000JMoSt.517..271M), T00 = Thorwirth et al. (2000JMoSp.204..133T), M78 = Mallinson & de Zafra (1978MolPh..36..827M), Y86 = Yamada & Creswell (1986JMoSp.116..384Y), L68 = Lafferty (1968JMoSp..25..359L), dL85 = DeLeon & Muenter (1985JChPh..82.1702D), Mor = Moravec A. (1994, PhD thesis Koeln, University of Cologne).
Byte-by-byte Description of file: table9.dat
Bytes Format Units Label Explanations
1- 38 A38 --- Type Transition type 40- 42 I3 --- Jup [0/120] Upper rotational quantum number 44 I1 --- l5up [0/1] Upper "l5" vibrational quantum number 46 I1 --- l6up [0/2] Upper "l6" vibrational quantum number 48- 49 I2 --- l7up [-2/4] Upper "l7" vibrational quantum number 51- 53 A3 --- kup Upper "k" vibrational quantum number or parity label (1) 55- 57 I3 --- Jlo [0/120] Lower rotational quantum number 59 I1 --- l5lo [0/1] Lower "l5" vibrational quantum number 61 I1 --- l6lo [0/2] Lower "l6" vibrational quantum number 63- 64 I2 --- l7lo [-2/4] Lower "l7" vibrational quantum number 66- 68 A3 --- klo Lower "k" vibrational quantum number or parity label (1) 70- 82 F13.5 --- nuJupJlo [5.1/1.2e+06] Computed rest frequencies 84- 90 F7.5 --- e_nuJupJlo [0/0.4] Standard 1σ uncertainty in nuJupJlo 92- 95 A4 --- Unit Unit used; frequency in MHz or wavenumber in cm-1 97-102 F6.2 --- SJupJlo [0.03/227] Computed transition strength 104-109 F6.1 K Eu/k [0.4/4633] Upper state energy 111-113 I3 --- gu [1/241] Upper state degeneracy
Note (1): kup=l5up+l6up+l7up and klo=l5lo+l6lo+l7lo.
History: From electronic version of the journal
(End) Prepared by [AAS], Emmanuelle Perret [CDS] 08-Jan-2018
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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