J/ApJS/218/30 Propenal (CH2CHCHO) transition frequencies (Daly+, 2015)
Comprehensive analysis of prebiotic propenal up to 660 GHz.
Daly A.M., Bermudez C., Kolesnikova L., Alonso J.L.
<Astrophys. J. Suppl. Ser., 218, 30 (2015)>
=2015ApJS..218...30D 2015ApJS..218...30D
ADC_Keywords: Atomic physics ; Spectra, millimetric/submm
Keywords: catalogs; ISM: molecules; molecular data; techniques: spectroscopic
Abstract:
Since interstellar detection of propenal is only based on two
rotational transitions in the centimeter wave region, its high
resolution rotational spectrum has been measured up to 660GHz and
fully characterized by assignment of more than 12000 transitions to
provide direct laboratory data to the astronomical community. Spectral
assignments and analysis include transitions from the ground state of
the trans and cis isomers, three trans-13C isotopologues, and ten
excited vibrational states of the trans form. Combining new millimeter
and submillimeter data with those from the far-infrared region has
yielded the most precise set of spectroscopic constants of
trans-propenal obtained to date. Newly determined rotational
constants, centrifugal distortion constants, vibrational energies, and
Coriolis and Fermi interaction constants are given with high accuracy
and were used to predict transition frequencies and intensities over a
wide frequency range. Results of this work should facilitate
astronomers further observation of propenal in the interstellar
medium.
Description:
A commercially available sample of liquid propenal (b.p.=125°C)
was used without further purification. Propenal spectrum was acquired
using two different spectrometers. A recently upgraded
Stark-modulation spectrometer employing 33kHz modulation frequency and
phase-sensitive detection was used to cover the 26-110GHz range.
Millimeter- and submillimeter-wave measurements, over the 50-660GHz
range, were performed using a direct absorption spectrometer recently
constructed at the University of Valladolid. See section 2 for further
details.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table2.dat 81 23836 Laboratory assigned and fitted transition
frequencies for the trans-propenal parent,
trans-13C-species, cis-propenal ground states
and ten excited vibrational states of trans-propenal
table5.dat 73 139620 Predicted transition frequencies of the trans- and
cis-propenal ground states and ten excited
vibrational states of trans-propenal
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See also:
J/A+A/572/A44 : Vibrationally excited vinyl cyanide in Orion-KL (Lopez+, 2014)
J/ApJ/768/81 : Ethyl cyanide, CH3CH2CN, vibrational states (Daly+, 2013)
Byte-by-byte Description of file: table2.dat
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Bytes Format Units Label Explanations
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1- 12 A12 --- Sp Propenal species (Cis, Trans, Trans-13C1,
Trans-13C2 or Trans-13C3)
14- 15 I2 --- J1 [1/77] Upper J quantum number (G1)
17- 18 I2 --- Ka1 [0/24] Upper Ka quantum number (G1)
20- 21 I2 --- Kc1 [0/77] Upper Kc quantum number (G1)
23- 24 I2 --- v1 [0/10] Upper v vibrational identifier (G1)
26- 27 I2 --- J0 [0/76] Lower J quantum number (G1)
29- 30 I2 --- Ka0 [0/24] Lower Ka quantum number (G1)
32- 33 I2 --- Kc0 [0/76] Lower Kc quantum number (G1)
35- 36 I2 --- v0 [0/10] Lower v vibrational identifier
39- 47 F9.5 cm-1 nuFIR [107/660]? Far-infrared laboratory frequency of
the transition in cm-1
49- 56 F8.5 cm-1 O-CFIR [-0.06/0.2]? FIR observed minus calculated
frequency in cm-1
58- 67 F10.3 MHz nu [8750/659792]? Laboratory frequency of the
transition (microwave, millimeter and
submillimeter data in MHz)
69- 74 F6.3 MHz O-C [-9.8/40.7]? Observed minus calculated
frequency in MHz
76- 78 A3 --- Comm [BU, ] Comment (B: blended transition;
U: unfitted transition)
81 I1 --- Ref Data source (1)
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Note (1): Reference as follows:
1 = Blom et al. (1984, JAChS, 106, 7427);
2 = This work;
3 = Blom et al. (1982CPL....88...55B 1982CPL....88...55B);
4 = Winnewisser et al. (1975ZNatA..30.1001W 1975ZNatA..30.1001W);
5 = McKellar et al. (2008JMoSp.250..106M 2008JMoSp.250..106M).
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Byte-by-byte Description of file: table5.dat
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Bytes Format Units Label Explanations
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1- 5 A5 --- Sp Propenal species (Cis or Trans)
7- 8 I2 --- J1 [1/80] Upper J quantum number (G1)
10- 11 I2 --- Ka1 [0/45] Upper Ka quantum number (G1)
13- 14 I2 --- Kc1 [0/80] Upper Kc quantum number (G1)
16- 17 I2 --- v1 [0/10] Upper v vibrational identifier (G1)
19- 20 I2 --- J0 [0/80] Lower J quantum number (G1)
22- 23 I2 --- Ka0 [0/45] Lower Ka quantum number (G1)
25- 26 I2 --- Kc0 [0/80] Lower Kc quantum number (G1)
28- 29 I2 --- v0 [0/10] Lower v vibrational identifier (G1)
31- 40 F10.3 MHz nu [234/759977] Calculated frequency of the
transition
42- 46 F5.3 MHz e_nu [0/1] The 1σ calculated uncertainty of nu
48- 55 F8.3 D2 S*mu2 [0/6119] Line strength * µ2 (1)
57- 64 F8.3 cm-1 E1 [0.2/3574] Energy of the upper level
66- 73 F8.3 cm-1 E0 [0/3552] Energy of the lower level
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Note (1): Experimentally available values of the dipole moment components
used in the calculations:
* |µa|=3.052D and |µb|=0.630D for trans-propenal
(dipole moment components for excited vibrational states were
approximated by corresponding ground state values)
* |µa|=2.010D and |µb|=1.573D for cis-propenal
(Blom et al. 1984, JAChS, 106, 7427)
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Global notes:
Note (G1): The assignment of the individual vibrational states to v is:
0: ground state
1: v18=1
2: v18=2
3: v13=1
4: v18=3
5: (v18=1, v13=1)
6: v12=1
7: v17=1
8: v18=4
9: (v18=2, v13=1)
10: v13=2.
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History:
From electronic version of the journal
(End) Greg Schwarz [AAS], Emmanuelle Perret [CDS] 24-Aug-2015