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. =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-C_3_H_5_CHO, 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