J/A+A/615/A176 Propargylamine accurate rest frequencies (Degli Esposti+, 2018)
Accurate rest frequencies for propargylamine in the ground and low-lying
vibrational states.
Degli Esposti C., Dore L., Puzzarini C., Biczysko M., Bloino J.,
Bizzocchi L., Lattanzi V., Grabow J.-U.
<Astron. Astrophys. 615, A176 (2018)>
=2018A&A...615A.176D 2018A&A...615A.176D (SIMBAD/NED BibCode)
ADC_Keywords: Spectroscopy
Keywords: molecular data - methods: laboratory: molecular -
techniques: spectroscopic - radio lines: ISM
Abstract:
To date, several complex organic molecules have been detected in the
interstellar medium, and they have been suggested as precursors of
biologically important species. Propargylamine
(HC{triple}C-CH2-NH2) is structurally similar to a number of other
organic molecules which have already been identified by
radioastronomy, making it a good candidate for astrophysical
detection.
This work provides accurate rest frequencies of propargylamine, from
the centimeter-wave to the submillimeter-wave region, useful to
facilitate the detection of this molecule in the interstellar medium.
An extensive laboratory study of the rotational spectrum of
propargylamine has been performed using a pulsed-jet Fourier Transform
Microwave (FTMW) spectrometer (7-19GHz frequency range) and a
frequency modulation microwave spectrometer (75-560GHz). Several
hundred rotational transitions of propargylamine were recorded in the
ground and three lowest excited vibrational states. The experiments
were supported by high-level ab initio computations, mainly employed
to characterize the vibrational state structure and to predict
spectroscopic parameters unknown prior to this study.
The measured transition frequencies yielded accurate rotational
constants and the complete sets of quartic and sextic centrifugal
distortion constants for propargylamine in its vibrational ground
state. 14N-nuclear quadrupole coupling constants were also
determined. Rotational and quartic centrifugal distortion constants
were also obtained for the low-lying excited states v13=1(A'),
v20=1(A"), and v21=1(A"). The a-type Coriolis resonance
which couples the v13=1 and v21=1 levels was analyzed.
The determined spectroscopic constants allowed for the compilation of
a dataset of highly accurate rest frequencies for astrophysical
purposes in the millimeter and submillimeter regions with 1σ
uncertainties that are smaller than 0.050MHz, corresponding to
0.03km/s at 500GHz in radial equivalent velocity.
Description:
Several hundred rotational transitions of propargylamine were recorded
in the ground and three lowest excited vibrational states. The
measured transition frequencies yielded accurate spectroscopic
constants, that allow for the compilation of a dataset of highly
accurate rest frequencies for astrophysical purposes in the millimeter
and submillimeter regions.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table4.dat 78 990 Assignments, measured line positions, and
least-squares residuals for the analysed
transitions of propargylamine
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See also:
J/A+A/455/1161 : Rest frequencies of sub-mm spectrum of SiN (Bizzocchi+, 2006)
J/A+A/492/875 : Rest frequencies for C3O (Bizzocchi+, 2008)
J/A+A/544/A19 : CH2NH accurate rotational rest frequencies (Dore+, 2012)
J/A+A/549/A38 : Millimetre and infrared spectrum of DC4H (Tamassia+, 2013)
J/A+A/565/A66 : Ketenimine (CH2CNH) submm rest-frequencies
(Degli Esposti+, 2014)
J/ApJ/820/L26 : J=1-0 transitions of argonium (ArH+) (Bizzocchi+, 2016)
J/ApJS/230/26 : NH2CH2CN transition frequencies (Degli Esposti+, 2017)
J/ApJS/233/11 : Cyanoacetylene (HC3N) infrared spectrum (Bizzocchi+, 2017)
J/ApJS/233/15 : ND2 rotational spectrum (Melosso+, 2017)
J/A+A/609/A121 : Lab measurements for C-cyanomethanimine (Melosso+, 2018)
Byte-by-byte Description of file: table4.dat
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Bytes Format Units Label Explanations
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3- 4 I2 --- J1 Upper state rotational quantum number
7- 8 I2 --- Ka1 Upper state rotational quantum number
11- 12 I2 --- Kc1 Upper state rotational quantum number
16 I1 --- nu1 Upper state vibrational label (1)
19- 20 I2 --- F1 ?=- Upper state total quantum number (2)
23- 24 I2 --- J0 Lower state rotational quantum number
27- 28 I2 --- Ka0 Lower state rotational quantum number
31- 32 I2 --- Kc0 Lower state rotational quantum number
36 I1 --- nu0 Lower state vibrational label (1)
39- 40 I2 --- F0 ?=- Lower state total quantum number (2)
44- 54 F11.4 MHz Obs Measured line frequency
57- 63 F7.4 MHz Obs-calc Least-squares residual
67- 71 F5.3 MHz Uncert Assumed uncertainty
75- 78 F4.2 --- Weight ? Relative weight for blended transitions
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Note (1): Vibrational labels are as follows:
0 = ground state
1 = v13 = 1
2 = v21 = 1
3 = v20 = 1
Note (2): An '-' indicates a completely unresolved hyperfine structure.
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Acknowledgements:
Luca Dore, luca.dore(at)unibo.it
(End) Luca Dore [UniBo, Italy], Patricia Vannier [CDS] 23-Apr-2018