Ames Molecular Spectroscopic Data For Astrophysical And Atmospheric Studies: SO2 IR Line Lists

(To download: Righ-Click and Select "Save Target As...")

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[2017-05-11]

Microwave spectra line lists of 30 SO2 isotopologues: 17O, 18O,and 32/33/34/35/36S (will upload soon)

Accurate Spectroscopic Constants of SO2 minor isotopologues: 17O, 18O,and 32/33/34/35/36S (will upload soon)
( Accuracy for rotational constants: 0.01 - 0.02 MHz )

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Ames-296K.reduced IR Lists For SO2 Isotopologues, Based On Empirically Refined Ames-1/1B/Pre2 PES and Pure ab initio DMS

[2017-05-11]

Ames-Pre2 + DMS-N2 based IR Line Lists

Symmetric Isotopologues
   32S16O2     33S16O2     34S16O2     36S16O2     32S18O2    

Asymmetric Isotopologues
   16O32S18O

   Ames 16O32S18O line list for high-resolution experimental IR analysis
   Xinchuan Huang, David W. Schwenke and Timothy J. Lee, J.Mol.Spectrosc. 330 (2016) 101-111;

Ames-Pre2 PES based rovibrational energy level lists:

   32S16O2 [2017-04-24]    


[Old files: June 2016 version]

The allElevels.tgz files to use with so2.f90 and compressed list files: 626636646666828628

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[2017-05-11]

Experimental line position + Ames IR intensity: List of Matched Lab-based Transitions of 626, 646, 828, and 628.

Note:All expt lines from Ulenikov group studies (2009-2017) have been compared and collected, up to their 2017 JQSRT paper (in press) reporting the 110 and 011 band intensities of 626,646,828 and 628 isotopologues

   32S16O2     110 and 011 bands      all other bands up to JQSRT 144 (2014) 1-10, and JQSRT 130 (2013) 220-232
   34S16O2     110 and 011 bands      all other bands up to JMolSpec 319 (2016) 17-25, 50-54 and JQSRT 169 (2016) 49-57
   32S18O2     110 and 011 bands      all other bands up to JQSRT 196 (2017) 159-164
   16O32S18O     110 and 011 bands      all other bands up to JQSRT 189 (2017) 344-350

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Previous Updates

Ames-1 PES refinement, DMS, and Ames-296K list of main isotopologue 626 are reported in
        Highly accurate potential energy surface, dipole moment surface, rovibrational energy levels, and infrared line list for 32S16O2 up to 8000 cm-1
        Xinchuan Huang, David W. Schwenke and Timothy J. Lee
        J. Chem. Phys. 140 , 114311 (2014) ; http://dx.doi.org/10.1063/1.4868327

The Ames-296K (full and reduced) lists of 5 isotopologues (626, 646, 636, 666 and 828) are reported in:
        Empirical infrared line lists for five SO2 isotopologues: 32/33/34/36S16O2 and 32S18O2
        Xinchuan Huang, David W. Schwenke and Timothy J. Lee
        J. Mol. Spectroscopy, 311, 19-24 (2015) ; http://dx.doi.org/10.1016/j.jms.2015.01.010

Update: 2016-06-20
    Now 626, 636, 646, 666 and 828 line lists have reasonable quantum numbers, here
    (1)line list users can directly download the xxx.296K.1E-36.reduced.list.tgz
    (2)rovibrational energy levels (absolute values in a.u.) can be found in allElevels.xxx.tgz
    (3)the xxx.*compact.tgz files are only for users who may have interests in the compact <--> regular format transformations.

Old Version: June.2014 (Ames-1 PES based)
Download the so2.f90 and .tgz data files (J=0-80 energy levels and transitions) from here:

626 levels and transitions
636 levels and transitions
646 levels and transitions
666 levels and transitions
828 levels and transitions

Use the so2.f90 to create executable so2.x, run it and follow the directions. (Intel Fortran Compiler Compatible)

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This page was modified on May 11, 2017, by Xinchuan Huang @ SETI / NASA Ames.

Please send questions to Xinchuan.Huang-1@nasa.gov or Xinchuan@gmail.com