J/A+A/638/A3 Cyanoketene (NC-CH=C=O) mm wave spectroscopy (Margules+, 2020)
Millimeter wave spectroscopy of cyanoketene (NC-CH=C=O) and an observational
search in the ISM.
Margules L., McGuirre B.A., Motiyenko R.A., Brogan C., Hunter T.,
Remijan A., Guillemin J.C.
<Astron. Astrophys. 638, A3 (2020)>
=2020A&A...638A...3M 2020A&A...638A...3M (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: ISM: molecules - methods: laboratory: molecular - submillimeter: ISM -
molecular data - line: identification
Abstract:
Ketene was detected in the interstellar medium (ISM) in 1977. Until
now, only one derivative, the ketenyl radical, has been observed in
this medium. Due to its large dipole moment value, cynaoketene is one
of the best candidates for possible ketene derivative detection.
Aims.To date, the measurements of the rotational spectra have been
limited to 60GHz. The extrapolation of the prediction in the
millimeter wave domain is inaccurate and does not permit an
unambiguous detection.
The rotational spectra were re-investigated up to 330GHz. Using the
new prediction cyanoketene was sought after in a variety of
astronomical sources: NGS 63341, SgrB2(N), and ASAI sources.
A total of 1594 transitions were newly assigned and fitted together
with those from previous studies, reaching quantum numbers up to J=82
and Ka=24. Watson's asymmetric top Hamiltonian in the Ir
representation was used for the analysis; both reductions A and S were
tested. Logically, the S reduction gave the best results confirming
that the molecule is very close to the prolate limit. Cynaoketene was
not found in ISM; upper limits to the column density were derived in
each source.
Description:
Measured frequencies, and residuals from the global fit of the data
for cyanoketene and files used for SPFIT.
Detailled explanations on SPFIT could be found at
https://cdms.astro.uni-koeln.de/classic/general
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
s1.dat 76 2160 Measured frequencies, and residuals from the
global fit of the data for cyanoketene
s2.lin 61 2160 .lin file, input file for SPFIT
s3.par 81 26 .par file, input file for SPFIT
s4.cat 73 7380 .cat prediction up to 350 GHz
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See also:
J/A+A/493/565 : Deuterated and 15N ethyl cyanides (Margules+, 2009)
J/A+A/500/1109 : Rotational spectrum of HCOO13CH3 (Carvajal+, 2009)
J/A+A/538/A51 : Rotational spectrum of CH3CH(NH2)CN (Mollendal+, 2012)
J/A+A/538/A119 : Spectrum of 18O-methyl formate HCO18OCH3 (Tercero+ 2012)
J/A+A/540/A51 : Submm spectrum of deuterated glycolaldehydes (Bouchez+, 2012)
J/A+A/543/A46 : Submillimeter spectrum of HCOOCD2H (Coudert+, 2012)
J/A+A/543/A135 : New analysis of 13C-CH3CH2CN up to 1THz (Richard+, 2012)
J/A+A/544/A82 : Rotational spectroscopy of diisocyanomethane (Motiyenko+ 2012)
J/A+A/548/A71 : Spectroscopy and ISM detection of formamide (Motiyenko+, 2012)
J/A+A/549/A96 : mm and sub-mm spectra of 13C-glycolaldehydes (Haykal+, 2013)
J/A+A/549/A128 : Singly deuterated isotopologues of formamide (Kutsenko+, 2013)
J/A+A/552/A117 : Mono-deuterated dimethyl ether (Richard+, 2013)
J/A+A/553/A84 : (Sub)mm spectrum of deuterated methyl cyanides (Nguyen+, 2013)
J/A+A/559/A44 : Rotational spectrum of MAAN (CH2NCH2CN) (Motiyenko+, 2013)
J/A+A/563/A137 : THz spectrum of methylamine (Motiyenko+, 2014)
J/A+A/568/A58 : HCOO13CH3 rotational spectrum (Haykal+, 2014)
J/A+A/579/A46 : Mono13C acetaldehydes mm/submm wave spectra (Margules+ 2015)
J/A+A/591/A110 : 15NH2 amidogen radical rotational spectrum
(Margules+, 2016)
J/A+A/601/A50 : Sub-millimeter spectra of 2-hydroxyacetonitrile
(Margules+, 2017)
J/A+A/610/A44 : Ethyl isocyanide submillimeter wave spectroscopy
(Margules+, 2018)
J/A+A/619/A92 : Laboratory analysis of methylketene (Bermuez+, 2018)
J/A+A/623/A162 : Spectroscopy of CH2(CN)2 and CNCH2CN (Motiyenko+, 2019)
J/A+A/624/A70 : Acetaldehyde CH2DCOH and CH3COD (Coudert+, 2019)
https://cdms.astro.uni-koeln.de/classic :
The Cologne Database for Molecular Spectroscopy Hpme Page
Byte-by-byte Description of file: s1.dat
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Bytes Format Units Label Explanations
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2- 5 I4 --- Nr Line number
6 A1 --- --- [:]
8- 10 I3 --- J" Upper J quantum number
12- 13 I2 --- Ka" Upper Ka quantum number
15- 16 I2 --- Kc" Upper Kc quantum number
18- 19 I2 --- J' Lower J quantum number
21- 22 I2 --- Ka' Lower Ka quantum number
24- 25 I2 --- Kc' Lower Kc quantum number
46- 56 F11.4 MHz Freq Observed transition frequency
60- 66 F7.4 MHz O-C Observed - Calculated frequencies
71- 76 F6.4 MHz unc Experimental uncertainty
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Description of file:
File s2.lin (measured transition):
------------------------------------------------------------------------------
Bytes Format Units Label Explanations
------------------------------------------------------------------------------
2- 3 I2 --- J" Upper J quantum number
5- 6 I2 --- Ka" Upper Ka quantum number
8- 9 I2 --- Kc" Upper Kc quantum number
11- 12 I2 --- J' Lower J quantum number
14- 15 I2 --- Ka' Lower Ka quantum number
17- 18 I2 --- Kc' Lower Kc quantum number
40- 49 F6.3 --- Freq Observed transition frequency
55- 59 F1.3 --- unc Uncertainty of measurements
------------------------------------------------------------------------------
File s3.par (spectroscopic parameters):
First 3 lines for SFIPT use (see https://www.astro.uni-koeln.de/cdms/pickett)
For lines 4 to 26:
------------------------------------------------------------------------------
Bytes Format Units Label Explanations
------------------------------------------------------------------------------
9- 13 I5 --- IDPAR coding of the parameter
16- 37 E22.15 --- PAR parameter value
39- 53 E14.8 --- ERPAR parameter uncertainty
55- 59 A11 --- LABEL parameter label that is delimited by /
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File s4.cat (spectrum prevision):
------------------------------------------------------------------------------
Bytes Format Units Label Explanations
------------------------------------------------------------------------------
3- 13 F12.4 MHz FREQ Frequency of the line
16- 21 F8.4 MHz ERR Estimated or experimental error
23- 29 F7.4 --- LGINT Base 10 logarithm of the integrated intensity
in units of nm2 MHz
31 I1 --- DR Degrees of freedom in the rotational partition
function
33- 41 F9.4 --- ELO Lower state energy in wavenumbers
42- 44 I3 --- GUP Upper state degeneracy
47- 51 I5 --- TAG Species tag or molecular identifier
52- 55 I4 --- QNFMT Identifies the format of the quantum numbers
given in the field QN
56- 57 I2 --- J" Upper J quantum number
58- 59 I2 --- Ka" Upper Ka quantum number
60- 61 I2 --- Kc" Upper Kc quantum number
68- 69 I2 --- J' Lower J quantum number
70- 71 I2 --- Ka' Lower Ka quantum number
72- 73 I2 --- Kc' Lower Kc quantum number
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Acknowledgements:
Laurent Margules, laurent.margules(at)univ-lille.fr
(End) Laurent Margules [Phlam, France], Patricia Vannier [CDS] 20-May-2020