J/A+A/645/A75 Rotational spectroscopy and ISM search CPCA (Cabezas+, 2021)
Comprehensive rotational study and astronomical search for
cyclopropanecarboxaldehyde.
Cabezas C., Neeman E., Tercero B., Bermudez C., Cernicharo J.
<Astron. Astrophys. 645, A75 (2021)>
=2021A&A...645A..75C 2021A&A...645A..75C (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: ISM: molecules - methods: laboratory: molecular - molecular data -
line: identification
Abstract:
At least a dozen molecules with a formyl group (HCO) have been
observed to ate in the interstellar medium (ISM), suggesting that
other such species exist nd await discovered. However there is still a
lack of high-resolution spectroscopic data for simple molecular species
of this type that could provide basis for their detection.
Cyclopropanecarboxaldehyde, c-C3H5CHO, is a small molecule
containing a formyl group and is an interesting candidate for
astrophysical detection. The rotational spectrum of
cyclopropanecarboxaldehyde has been observed before, but its
experimental rotational parameters are not precise enough to allow its
detection in the ISM.
We measured the rotational spectrum of cyclopropanecarboxaldehyde in
the frequency ranges 31.5-50GHz and 72-116.5GHz using the GACELA
(GAS CEll for Laboratory Astrophysics) broadband high resolution
rotational spectrometer constructed at the Yebes Observatory. The
spectroscopic study was supported by high-level theoretical
calculations which were used in the identification of the vibrational
excited states of cyclopropanecarboxaldehyde. The analysis of the
rotational spectrum of cyclopropanecarboxaldehyde allowed us to obtain
accurate rotational parameters for the ground state of both cis and
trans isomers, which were used to derive predictions sufficiently
reliable up to 500GHz. In addition to the ground states, we
identified twelve and six vibrationally excited states for the trans
and cis isomers, respectively, including fundamental modes, multiple
excitation quanta and combination states. We found that the gas phase
concentration of the trans isomer is almost 1.2 times larger than that
for the cis one. The new experimental rotational parameters were
employed to search for cyclopropanecarboxaldehyde in the warm
molecular clouds Orion KL and Sgr B2(N) using the spectral surveys
captured by ALMA (Orion) and IRAM 30m (Sgr) at 1mm and 3mm,
respectively.
Description:
tableA1.txt contains rotational transitions for the ground state of the
trans conformer of CPCA
tableA2.txt contains rotational transitions for the nu27 vibrationally
excited state of the trans conformer of CPCA
tableA3.txt contains rotational transitions for the 2nu27 vibrationally
excited state of the trans conformer of CPCA
tableA4.txt contains rotational transitions for the nu16 vibrationally
excited state of the trans conformer of CPCA
tableA5.txt contains rotational transitions for the nu26 vibrationally
excited state of the trans conformer of CPCA
tableA6.txt contains rotational transitions for the 3nu27 vibrationally
excited state of the trans conformer of CPCA
tableA7.txt contains rotational transitions for the nu27+nu16 vibrationally
excited state of the trans conformer of CPCA
tableA8.txt contains rotational transitions for the nu27+nu26 vibrationally
excited state of the trans conformer of CPCA
tableA9.txt contains rotational transitions for the 2nu27+nu16 vibrationally
excited state of the trans conformer of CPCA
tableA10.txt contains rotational transitions for the 2nu16 vibrationally
excited state of the trans conformer of CPCA
tableA11.txt contains rotational transitions for the 2nu27+nu26 vibrationally
excited state of the trans conformer of CPCA
tableA12.txt contains rotational transitions for the 2nu26 vibrationally
excited state of the trans conformer of CPCA
tableA13.txt contains rotational transitions for the 3nu27+nu16 vibrationally
excited state of the trans conformer of CPCA
tableA14.txt contains rotational transitions for the ground state of the
cis conformer of CPCA
tableA15.txt contains rotational transitions for the nu27 vibrationally
excited state of the cis conformer of CPCA
tableA16.txt contains rotational transitions for the 2nu27 vibrationally
excited state of the cis conformer of CPCA
tableA17.txt contains rotational transitions for the nu16 vibrationally
excited state of the cis conformer of CPCA
tableA18.txt contains rotational transitions for the nu26 vibrationally
excited state of the cis conformer of CPCA
tableA19.txt contains rotational transitions for the 3nu27 vibrationally
excited state of the cis conformer of CPCA
tableA20.txt contains rotational transitions for the nu27+nu16 vibrationally
excited state of the cis conformer of CPCA
table21.txt contains the predicted transition frequencies for the ground state
of the trans conformer of CPCA up to 500 GHz
table22.txt contains the predicted transition frequencies for the ground state
of the cis conformer of CPCA up to 500 GHz
File Summary:
--------------------------------------------------------------------------------
FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
tablea1.dat 67 208 Measured transitions for CPCA trans g.s
tablea2.dat 67 196 Measured transitions for CPCA trans nu27
tablea3.dat 67 169 Measured transitions for CPCA trans 2nu27
tablea4.dat 67 142 Measured transitions for CPCA trans nu16
tablea5.dat 67 150 Measured transitions for CPCA trans nu26
tablea6.dat 67 168 Measured transitions for CPCA trans 3nu27
tablea7.dat 67 139 Measured transitions for CPCA trans nu27+nu16
tablea8.dat 67 140 Measured transitions for CPCA trans nu27+nu26
tablea9.dat 67 134 Measured transitions for CPCA trans 2nu27+nu16
tablea10.dat 67 104 Measured transitions for CPCA trans 2nu16
tablea11.dat 67 130 Measured transitions for CPCA trans 2nu27+nu26
tablea12.dat 67 18 Measured transitions for CPCA trans 2nu26
tablea13.dat 67 76 Measured transitions for CPCA trans 3nu27+nu16
tablea14.dat 67 819 Measured transitions for CPCA cis g.s
tablea15.dat 67 471 Measured transitions for CPCA cis nu27
tablea16.dat 67 230 Measured transitions for CPCA cis 2nu27
tablea17.dat 67 157 Measured transitions for CPCA cis nu16
tablea18.dat 67 252 Measured transitions for CPCA cis nu26
tablea19.dat 67 315 Measured transitions for CPCA cis 3nu27
tablea20.dat 67 241 Measured transitions for CPCA cis 2nu27+nu16
tablea21.dat 47 11158 Predicted frequencies for CPCA trans at T=300K
tablea22.dat 47 27491 Predicted frequencies for CPCA cis at T=300K
--------------------------------------------------------------------------------
Byte-by-byte Description of file: tablea?.dat tablea1?.dat tablea20.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
3- 4 I2 --- J' Quantum number J for upper level
8- 9 I2 --- Ka' Quantum number Ka for upper level
12- 13 I2 --- Kc' Quantum number Kc for upper level
18- 19 I2 --- J" Quantum number J for lower level
22- 23 I2 --- Ka" Quantum number Ka for lower level
26- 27 I2 --- Kc" Quantum number Kc for lower level
32- 42 F11.4 MHz FreqMeas Measured frequency
49- 53 F5.3 MHz Uncert Uncertainty associated to frequency
61- 67 F7.4 MHz O-C Difference between observed and calculated
frequency
--------------------------------------------------------------------------------
Byte-by-byte Description of file: tablea21.dat tablea22.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
2- 3 I2 --- J' Quantum number J for upper level
6- 7 I2 --- Ka' Quantum number Ka for upper level
10- 11 I2 --- Kc' Quantum number Kc for upper level
14- 15 I2 --- J" Quantum number J for lower level
18- 19 I2 --- Ka" Quantum number Ka for lower level
22- 23 I2 --- Kc" Quantum number Kc for lower level
27- 37 F11.4 MHz Freq Frequency
40- 47 F8.4 [nm2/MHz] logInt Base 10 logarithm of the integrated intensity
--------------------------------------------------------------------------------
Acknowledgements:
Carlos Cabezas, carlos.cabezas(at)csic.es
(End) Patricia Vannier [CDS] 03-Dec-2020