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 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 1995ZNatA..50.1179Y ; Thorwirth+
2000JMoSp.204..133T 2000JMoSp.204..133T). Further measurements were made using the Cologne
Terahertz Spectrometer.
See section 2 for further explanations.
File Summary:
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FileName Lrecl Records Explanations
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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
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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)
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Note (1): kup=l5up+l6up+l7up and klo=l5lo+l6lo+l7lo.
Note (2): Source as follows:
dZ71 = de Zafra (1971ApJ...170..165D 1971ApJ...170..165D),
C77 = Creswell et al. (1977JMoSp..65..420C 1977JMoSp..65..420C),
C91 = Chen et al. (1991IJIMW..12..987C 1991IJIMW..12..987C),
Y95 = Yamada et al. (1985JMoSp.112..347Y 1985JMoSp.112..347Y),
M00 = Mbosei et al. (2000JMoSt.517..271M 2000JMoSt.517..271M),
T00 = Thorwirth et al. (2000JMoSp.204..133T 2000JMoSp.204..133T),
M78 = Mallinson & de Zafra (1978MolPh..36..827M 1978MolPh..36..827M),
Y86 = Yamada & Creswell (1986JMoSp.116..384Y 1986JMoSp.116..384Y),
L68 = Lafferty (1968JMoSp..25..359L 1968JMoSp..25..359L),
dL85 = DeLeon & Muenter (1985JChPh..82.1702D 1985JChPh..82.1702D),
Mor = Moravec A. (1994, PhD thesis Koeln, University of Cologne).
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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
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Note (1): kup=l5up+l6up+l7up and klo=l5lo+l6lo+l7lo.
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History:
From electronic version of the journal
(End) Prepared by [AAS], Emmanuelle Perret [CDS] 08-Jan-2018