J/ApJ/847/67 High-resolution FIR spectrum of anti-vinyl alcohol (Bunn+, 2017)
Far-infrared spectroscopic characterization of anti-vinyl alcohol.
Bunn H., Soliday R.M., Sumner I., Raston P.L.
<Astrophys. J., 847, 67 (2017)>
=2017ApJ...847...67B 2017ApJ...847...67B
ADC_Keywords: Atomic physics ; Molecular data ; Spectra, infrared
Keywords: ISM: molecules ; molecular data ; techniques: spectroscopic
Abstract:
We report a detailed analysis of the high-resolution far-infrared
spectrum of anti-vinyl alcohol, which has been previously identified
toward Sagittarius B2(N). The ν15 OH torsional fundamental
investigated here is more than 200cm-1 removed from the next nearest
vibration, making it practically unperturbed and ideal to help refine
the ground state rotational constants that were previously determined
from 25 microwave lines. We assigned 1335 lines within the ν15
fundamental centered at 261.5512cm-1, with J and Ka ranges of 1-59
and 0-16, respectively. The microwave and far-infrared line positions
were fit with Watson-type A- and S-reduced Hamiltonians, with the
inclusion of quartic and select sextic distortion terms. This resulted
in a significant refinement of the ground state constants, in addition
to the determination of the ν15=1 state constants for the first
time. The spectroscopic parameters are in good agreement with the
results from anharmonic coupled-cluster calculations, and should be
useful in searches for rotationally and/or vibrationally warm
anti-vinyl alcohol in interstellar molecular clouds.
Description:
The high-resolution FTIR spectrum of vinyl alcohol was obtained at the
far-IR beamline of the Australian Synchrotron as previously outlined
in Bunn+ (2017, ACS Earth Space Chem. 1 70).
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table3.dat 83 1893 Linelist for the ν15 fundamental of anti-VA;
the residuals were determined using the A-reduced
constants
table4.dat 83 1893 Linelist for the ν15 fundamental of anti-VA;
the residuals were determined using the S-reduced
constants
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Description of file: Final fits were executed with SPFIT
(Pickett 1991JMoSp.148..371P 1991JMoSp.148..371P), and PIFORM was used to assist with the data
interpretation (Kisiel 2017,
http://www.ifpan.edu.pl/~kisiel/asym/asym.htm#piform). Abridged output files
are available in the FTP section (apjaa8870.tar).
See also:
J/ApJ/753/18 : FIR spectrum of ethylene oxide (CH2-O-CH2) (Medcraft+, 2012)
J/ApJ/768/81 : Ethyl cyanide, CH3CH2CN, vibrational states (Daly+, 2013)
J/A+A/572/A44 : Vibrationally excited vinyl cyanide in Orion-KL (Lopez+, 2014)
Byte-by-byte Description of file: table[34].dat
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Bytes Format Units Label Explanations
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1- 2 I2 --- J1 [1/59] Upper J state
4- 5 I2 --- Ka1 [0/16] Upper Ka state
7- 8 I2 --- Kc1 [0/59] Upper Kc state
10- 11 I2 --- v1 [0/1] Upper v state
13- 14 I2 --- J0 [1/59] Lower J state
16- 17 I2 --- Ka0 [0/15] Lower Ka state
19- 20 I2 --- Kc0 [0/59] Lower Kc state
22- 23 I2 --- v0 [0] Lower v state
25- 33 F9.3 MHz EobsMW [27681.7/55999]? Observed energy in MHz
(microwave (MW) lines,
Rodler 1985JMoSp.114...23R 1985JMoSp.114...23R ; v1=v0=0)
37- 43 F7.4 MHz O-CMW [-0.06/0.05]? Observed - Calculated energy in MHz
46- 50 F5.3 MHz e_EobsMW [0.020]? Uncertainty in observed energy in MHz
53- 61 F9.5 cm-1 Eobs [198/323]? Observed energy in cm-1
(IR lines; v1=1, v0=0)
63- 70 F8.5 cm-1 O-C [-0.0007/0.0007]? Observed - Calculated energy
72- 78 F7.5 cm-1 e_Eobs [0.0002/0.0003]? Uncertainty in observed energy
80- 83 F4.2 --- Wght [0.25/0.5]? Weight for blended lines
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History:
From electronic version of the journal
(End) Prepared by [AAS], Emmanuelle Perret [CDS] 29-May-2018