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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
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:
FileName Lrecl Records Explanations
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
Description of file: Final fits were executed with SPFIT (Pickett 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
Bytes Format Units Label Explanations
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 ; 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
History: From electronic version of the journal
(End) Prepared by [AAS], Emmanuelle Perret [CDS] 29-May-2018
The document above follows the rules of the Standard Description for Astronomical Catalogues.From this documentation it is possible to generate f77 program to load files into arrays or line by line

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