October, 2008 |
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Update for HITRAN References
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The sources for the 6 major parameters in the HITRAN database, as well as for the cross-sections data,
are contained in a pdf file. This file is updated each time new or modified data are added to the compilation.
The reference document can be downloaded here or in the HITRAN ftp site.
HITRAN References
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October, 2008 |
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Update for SF6 (Sulfur Hexafluoride)
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A totally new line list for 32SF6 has been created by Vincent Boudon (University of Burgundy, France), using the Highly-Spherical Top Data System (see Ch. Wenger, V. Boudon, J.-P. Champion, and G. Pierre, JQSRT 66, 1-16 (2000)). The line list not only replaces the former v3 band that was in HITRAN, but includes the v4 band and the v4 + v6 - v6 hot band.
This line list contains 2,889,065 transitions (actually reasonably reduced from the University of Burgundy original list by applying an intensity cutoff of 10-30 cm-1/(molecule x cm-2) at 296K), and covers the spectral range 580 to 996 cm-1.
CAUTIONS:
1. This list is extremely large, so consider this implication when either downloading the ASCII file or even the compressed file.
2. Since SF6 has low-lying vibrational modes, most applications will require hot bands that are not present in this list. Therefore it is the HITRAN policy to relegate this list to a supplemental folder, similar to what was done for SF6 and ClONO2 in the 2004 edition of HITRAN.
The data can be downloaded here either in ASCII:
30_hit08.par
or compressed format:
30_hit08.zip
These files should be used as a complete replacement of the 2004
SF6 linelist.
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August, 2008 |
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Update for HCl (Hydrochloric acid)
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A complete update of the line positions have been made based on the set of constants from Coxon and Hajigeorgiou, JMS 203, 49-64 (2000).
The new data solve the problem, previously noted by Rinsland et al [JMS 159, 274 (1993)], of discrepancies with experiments at higher rotational levels.
The data can be downloaded here either in ASCII:
15_hit08.par
or compressed format:
15_hit08.zip
These files should be used as a complete replacement of the 2004
HCl linelist.
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July, 2008 |
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Update for O3 (Ozone)
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A major update has been made for the first three isotopologues of ozone,
16O16O16O, 16O16O18O,
and 16O18O16O. The line positions, intensities, and
lower-state energies come from the work of Semen Mikhailenko (Institute of Atmospheric
Optics, Tomsk, Russia) and the group G.M.S.A. of the Université de Reims (Reims, France).
The new data cover bands in the spectral range 593 to 5786 cm-1, thereby extending the short wavelength coverage of HITRAN as well. In addition, Iouli Gordon (Harvard-Smithsonian Center for Astrophysics) has applied an improved algorithm for incorporating ozone line-shape parameters, and has applied the improvements to all ozone bands in the compilation.
The number of lines has increased from 311481 to 409686.
The data can be downloaded here either in ASCII:
03_hit08b.par
or compressed format:
03_hit08b.zip
These files should be used as a complete replacement of the 2004
ozone linelist. A breakout of the individual bands that have been updated
can be seen in the
O3 Readme file
Note: This is the third update posted for ozone since the 2004 edition of HITRAN. The second update of February 2008 corrected some minor errors in the list, and this third update adds many more weak bands and extends the line list even further to higher wavenumber. Some missing bands from the second update have also been restored (thanks to Norbert Glatthor for pointing this out).
The latest files have been appended with a version "b" to distinguish them from the former files.
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November, 2007 |
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Update for H2O2 (Hydrogen peroxide)
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The old hydrogen peroxide data previously in HITRAN for the v6
band in the 7.9-µm region have been completely replaced.
The sources of the new data are:
A. Perrin, A. Valentin, J.-M. Flaud, C. Camy-Peyret, L. Schriver, A. Schriver, and Ph. Arcas,
"The 7.9-µm Band of Hydrogen peroxide: Line Positions and Intensities,"
J.Mol.Spectrosc. 171, 358-373 (1995), and
S. Klee, M. Winnewisser, A. Perrin, and J.-M. Flaud,
"Absolute Line Intensities for the v6 Band of H2O2,"
J.Mol.Spectrosc. 195, 154-161 (1999),
In addition, errors existing in the HITRAN04 edition with respect to the Einstein A-coefficients for
pure rotational transitions, and statistical weights for the rotational
levels in the ground vibrational state, have been fixed.
The data can be downloaded here either in ASCII:
25_hit07.par
or compressed format:
25_hit07.zip
These files should be used as a complete replacement of the 2004
hydrogen peroxide linelist.
Note: 140 lines were found to be duplicated in the file we placed here in September 2007. These have been removed in this November update.
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July, 2007 |
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Update for C2H6 (Ethane)
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The data existing for the v9 fundamental band in
the 12-µm region that has existed for a long time in previous
editions of HITRAN has been completely removed.
They have been replaced with a new line list that includes the bands:
v9, 3v4,
v9 + v4 - v4, and
v9 + 2v4 - 2v4.
The source of the new data is J. Vander Auwera, N. Moazzen-Ahmadi, and J.-M. Flaud,
"Toward an accurate database for the 12 µm region of the ethane spectrum,"
Ap.J. 662, 750-757 (2007).
The data can be downloaded here either in ASCII:
27_hit07.par
or compressed format:
27_hit07.zip
These files should be used as a complete replacement of the 2004
ethane linelist. Further details on the quantum notation of this update
can be seen in the
C2H6 Readme file
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July, 2007
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Update for HCOOH (Formic acid)
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Formic acid (HCOOH) line parameters have been updated in HITRAN. The update is based upon A. Perrin and J. Vander Auwera,
"An improved database for the 9µm region of the formic acid spectrum," JQSRT 108, 363-370 (2007) and
J. Vander Auwera et al, "Absolute line intensities for formic acid and dissocation constant of the dimer,"
J.Chem.Phys. 126, 124311 (2007).
The data can be downloaded here either in ASCII:
32_hit07.par
or compressed format:
32_hit07.zip
The file represents a complete replacement of the 2004
HCOOH linelist.
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January, 2007
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Update for C2H2 (Acetylene)
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New bands of acetylene have been added to HITRAN in the 2.5- and 3.8-µm regions.
The new parameters (line positions and intensities) come from the works of O.M. Lyulin et al,
JQSRT 103, 496-523 (2007) and D. Jacquemart et al, JQSRT 103, 478-495 (2007), respectively.
In addition, some values of the temperature-dependence coefficient that were inadvertantly set to zero
in the 2004 edition of HITRAN have been set to a default value of 0.75.
The number of lines for C2H2 has increased to a total of 5107.
The data can be downloaded here either in ASCII:
26_hit07.par
or compressed format:
26_hit07.zip
The file represents a complete replacement of the 2004
C2H2 linelist.
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December, 2006
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Correction of Einstein A-coefficients for doublet-Pi molecules (OH, NO, ClO)
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Corrections have been made to the statistical weights and Einstein A-coefficients for the HITRAN molecules
in the doublet-Pi electronic state, namely NO, OH, and ClO (molecules 8, 13, and 18 respectively).
The data can be downloaded here, either in ASCII:
08_hit06.par NO (nitric oxide)
13_hit05.par OH (hydoxyl radical)
13_UV05.par OH (hydoxyl radical, ultraviolet bands)
18_hit06.par ClO (chlorine monoxide)
or compressed format:
08_hit06.zip
13_hit05.zip
13_UV05.zip
18_hit06.zip
These files should be used as a complete replacement of the corresponding
2004 linelist.
Note that there have also been some simultaneous updates of the parameters:
- The Nitric Oxide pure-rotation lines (for some brief details on this update, see
NO Readme file)
- The ClO pure-rotation lines (for some brief details on this latter update, see
ClO Readme file).
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November, 2006
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O2 bands in the UV
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A new line list has been created for the oxygen Herzberg bands. Corrections have also been made to the Schumann-Runge line list. Further details on this update can be seen in the
O2 Readme file
The data can be downloaded here, either in ASCII:
07_UV06.par
or compressed format:
07_UV06.zip
In addition, corrections have been made to the Einstein A-coefficients for the oxygen line list in the main part of HITRAN.
Note that the format of the "global" quantum identifications has been modified slightly, as explained in the read-me document above.
The data can be downloaded here, either in ASCII:
07_hit06.par
or compressed format:
07_hit06.zip
These files should be used as a complete replacement of the corresponding 2004 linelist.
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September, 2006 |
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Update for NO+ (Nitric oxide ion)
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New line positions corresponding to J" 40
for all vibration bands of NO+
in the database have been generated using constants derived from a global fit of microwave,
infrared, and UV spectra. Note that the spectrum of this molecule is often used for upper
atmospheric research and hence there is a large dynamic range in intensities in the line list.
Many lines outside the range of this new fit have been retained from previous editions of HITRAN
with correspondingly large uncertainties in position. The new analysis was performed by I. Gordon,
Harvard-Smithsonian Center for Astrophysics (2006).
The data can be downloaded here either in ASCII:
36_hit06.par
or compressed format:
36_hit06.zip
These files should be used as a complete replacement of the 2004
NO+ linelist.
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September, 2006 |
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Update for PH3 (Phosphine)
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New bands of PH3 have been added in the region 2724 to 3602 cm-1,
based on the work of R.A.H. Butler, L. Sagui, I. Kleiner, and L.R. Brown,
J.Mol.Spectrosc. 238, 178-192 (2006). In addition,
the collision-broadened parameters of the previously existing data in HITRAN
from 770 to 2472 cm-1 have been updated using the latter source.
The data can be downloaded here either in ASCII:
28_hit06.par
or compressed format:
28_hit06.zip
These files should be used as a complete replacement of the 2004
phosphine linelist.
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September, 2006 |
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Update for OCS (Carbonyl sulfide)
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In the HITRAN2004 edition, the intensities of the v3 band of the
principal isotopologue (the region around 5 µm) were updated according to the average
of the measurements reported by L. Régalia-Jarlot et al, JQSRT 74, 455-470 (2002)
and J. Vander Auwera and A. Fayt, J.Mol.Struct. 780-781, 134-141 (2006).
In this update, the same scaling was also applied to the hot bands of the 622, 624, 623, and
822 isotopologues, and the cold band of 624, 623, and 822.
The data can be downloaded here either in ASCII:
19_hit06.par
or compressed format:
19_hit06.zip
These files should be used as a complete replacement of the 2004
carbonyl sulfide linelist.
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August, 2006 |
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Update for H2O (Water vapor)
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The air-broadened half-widths for the three most abundant isotopologues of water have been completely updated.
Details of the update are described in I.E. Gordon, et al, JQSRT 108, 389-402 (2007).
Various validations have demonstrated that the new list is superior to the parameters in the 2004 edition, and the
impact can be noticeable for simulations in the troposphere. An update has also been made for the H217O and H2 18O isotopologues in the near-IR and visible region based on the work of
M.Tanaka, O. Naumenko, J.W. Brault, and J. Tennyson, J.Mol.Spectrosc. 234, 1-9 (2005). In addition,
some misidentified lines, that have now been attributed to oxygen, have been removed.
The data can be downloaded here either in ASCII:
01_hit06.par
or compressed format:
01_hit06.zip
These files should be used as a complete replacement of the 2004
water vapor linelist.
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July, 2006 |
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Update for HNO3 (Nitric acid)
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The line parameters for nitric acid have been completely updated in the region from 600 to 1790 cm-1.
The new data come from the work that went into the MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) database:
J.-M. Flaud, G. Brizzi, M. Carlotti, A. Perrin, and M. Ridolfi,
"MIPAS database: Validation of HNO3 line parameters using MIPAS satellite measurements,"
Atmos.Chem.Phys.Discuss. 6, 4251-4272 (2006).
The data can be downloaded here either in ASCII:
12_hit06.par
or compressed format:
12_hit06.zip
These files should be used as a complete replacement of the 2004
nitric acid linelist.
(Note that there are now 373039 lines for this molecule!)
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April, 2006 |
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Update for N2O (Nitrous oxide)
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It was discovered that two strong P1 lines (at 578.5261 and 1167.2943 cm-1)
were absent from the HITRAN2004 edition. These lines have been restored.
In addition, 6 lines of a weak, highly
perturbed band (0600-1000) around 4.6 µm have been added.
The data can be downloaded here either in ASCII:
04_hit06.par
or compressed format:
04_hit06.zip
These files should be used as a complete replacement of the 2004
nitrous oxide linelist.
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June, 2005 |
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Update of JavaHAWKS installers
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The JavaHAWKS installers have been updated. The partition sums have
been updated to allow for improved temperature corrections of the
intensity. The improved installation procedures of the JavaHAWKS
software for the Windows, Unix, Linux, and MAC operating systems that
have been placed on the HITRAN ftp-site:
ftp://cfa-ftp.harvard.edu/pub/hitran04/.
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May, 2005 |
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Update for C2H6 (Ethane)
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In the release of HITRAN2004, a number of Q-branches were
inadvertantly dropped in the v7 band around
3.3µm when we updated one of the branches. The missing
Q-branches have been restored. In addition, while performing this
update, numerous multiplets (due to internal rotation tunneling) have
now been uniquely identified.
The ethane data have been updated in another region more recently
(see ethane update of July 2007). They can be downloaded in that
update entry.
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December, 2004 |
IR Cross-sections for CH3CN
(also called acetonitrile or methyl cyanide)
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Infrared cross-section data are now available for CH3CN.
The source of the data is C.P. Rinsland, S.W. Sharpe, and R.L. Sams,
"Temperature-dependent infrared absorption cross-sections of methyl
cyanide (acetonitrile)," JQSRT 96, 271-280 (2005). This
molecule is emitted from incomplete combustion of vegetable matter,
for example in forest fires. It is relatively unreactive in the
troposphere and is thus a tracer of troposphere-stratosphere
transport.
The data can be downloaded here either in ASCII:
CH3CN_IR05.xsc
or compressed format:
CH3CN_IR05.zip
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December, 2004 |
IR Cross-sections for PAN
( CH3C(O)OONO2, also called
peroxyacetyl nitrate or
peroxyacetic nitric anhydride)
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Infrared cross-section data for PAN became available after the release
of the current HITRAN database. The source of the data is G. Allen,
J.J. Remedios, D.A. Newnham, K.M. Smith, and P.S. Monks,
"High-resolution mid-infrared cross-sections for peroxyacetyl nitrate
(PAN) vapour," Atmos.Chem.Phys.Discuss. 4, 5656-5681
(2004). This organic compound is formed in photochemical smogs, for
example. It is thermally quite stable, and can contribute to
pollution in areas away from its source. It is an irritant to the
eyes and breathing.
The data can be downloaded here either in ASCII:
PAN_IR04.xsc
or compressed format:
PAN_IR04.zip
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November, 2004 |
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Software fix for temperature conversion
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The temperature conversion feature of JavaHAWKS, under the pull-down
menu SELECT, was not operating in the initial 2004 release of
JavaHAWKS. The new version of the software now allows the conversion
of two parameters, the intensity and the air-broadened half-width,
within a temperature range of 70 to 3000K. (Note that the default
standard temperature of HITRAN is 296K.)
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November, 2004 |
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Update of JavaHAWKS installers
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There was a slight problem with the initial 2004 release of the
JavaHAWKS installers. In some cases the user was required to set the
current path to the JavaHAWKS directory on his or her computer by
editing the file HAWKS.properties. This path is now always set
automatically with the improved installation procedures of the
JavaHAWKS software for the Windows, Unix, Linux, and MAC operating
systems that have been placed on the HITRAN ftp-site:
ftp://cfa-ftp.harvard.edu/pub/hitran04/.
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