HITRAN: Past, Present, and Future

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Spectroscopic Parameters for the Atmospheres
of Extrasolar Planets
Laurence S. Rothman Harvard-Smithsonian Center
for Astrophysics Atomic and Molecular Physics
Division Cambridge MA 02138, USA
Molecules in the atmospheres of extrasolar
planets Paris, FRANCE 19-21 Novembre 2008
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PAST
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1824 ? Greenhouse effect - gases in the
atmosphere increase the surface temperature of
the Earth - Planets lose energy by infrared
radiation (that Fourier called "chaleur obscure"
or "dark heat") - Fourier transform spectroscopy
(FTS)
Jean Baptiste Joseph Fourier March 21, 1768 May
16, 1830
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Joseph-Marie Jacquard 1801 Charles Babbage
1820 HITRAN 1973 Florida - 2000
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PRESENT
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File Structure of HITRAN Compilation
HITRAN (line-transition parameters)
IR Cross-sections
UV
Aerosol Refractive Indices
Line Coupling
CO2 data
Global Data Files, Tables, and References
Line-by-line
Cross-sections
Supplemental
Supplemental
Alternate
Molecule- by-molecule
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HITRAN Line-by-line Parameters
Parameter Field size Definition
Mol I2 Molecule number
Iso I1 Isotopologue no.(1 most abundant, 2 second most abundant, )
?if F12.6 Transition wavenumber in vacuum cm-1
Sif E10.3 Intensity cm-1/(moleculecm-2) _at_ 296K
Aif E10.3 Einstein A-coefficient s-1
?air F5.4 Air-broadened half-width (HWHM) cm-1/atm _at_ 296K
?self F5.4 Self-broadened half-width (HWHM) cm-1/atm _at_ 296K
E? F10.4 Lower-state energy cm-1
nair F4.2 Temperature-dependence coefficient of ?air
dair F8.6 Air pressure-induced shift cm-1/atm _at_ 296K
v', v? 2A15 Upper and Lower global quanta
q', q? 2A15 Upper and Lower local quanta
ierr 6I1 Uncertainty indices for ?if , Sif , ?air , ?self , nair , dair
iref 6I2 Reference pointers for ?if , Sif , ?air , ?self , nair , dair
A1 Flag for line-coupling algorithm
g', g? 2F7.1 Upper and Lower statistical weights
160-character total
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Some New Updates
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Methane Challenge
1.7 µm
2.3 µm
new
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More New Updates..
? Major update 1632-5870 cm-1 Reims/Tomsk ?
Improved line-shape algorithm
? (UV) Corrected Schumann-Runge list ? Added
Herzberg bands ? Improved A-band Brown and
co-workers
? Update 600-1790 cm-1 Perrin et al ? Further
Improvements in 11-µm region Gomez et al
O3 ozone
O3 ozone
O3 ozone
A major update has been made for the first three
isotopologues of ozone, thanks to the Reims-Tomsk
collaborative effort http//smpo.iao.ru. The
new data cover bands in the spectral range 1632
to 5870 cm-1, thereby extending the short
wavelength coverage of HITRAN. In addition, an
improved algorithm for incorporating ozone
line-shape parameters has been applied to all
ozone bands in the compilation.
O3 ozone
A major update has been made for the first three
isotopologues of ozone, thanks to the Reims-Tomsk
collaborative effort http//smpo.iao.ru. The
new data cover bands in the spectral range 1632
to 5870 cm-1, thereby extending the short
wavelength coverage of HITRAN. In addition, an
improved algorithm for incorporating ozone
line-shape parameters has been applied to all
ozone bands in the compilation.
A major update has been made for the first three
isotopologues of ozone, thanks to the Reims-Tomsk
collaborative effort http//smpo.iao.ru. The
new data cover bands in the spectral range 1632
to 5870 cm-1, thereby extending the short
wavelength coverage of HITRAN. In addition, an
improved algorithm for incorporating ozone
line-shape parameters has been applied to all
ozone bands in the compilation.
A major update has been made for the first three
isotopologues of ozone, thanks to the Reims-Tomsk
collaborative effort http//smpo.iao.ru. The
new data cover bands in the spectral range 1632
to 5870 cm-1, thereby extending the short
wavelength coverage of HITRAN. In addition, an
improved algorithm for incorporating ozone
line-shape parameters has been applied to all
ozone bands in the compilation.
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Species Currently Covered (line-by-line portion)
Molecule of isotopo-logues Molecule of isotopo-logues Molecule of isotopo-logues
H2O 6 HCl 2 COF2 1
CO2 8 HBr 2 SF6 1
O3 5 HI 1 H2S 3
N2O 5 ClO 2 HCOOH 1
CO 6 OCS 5 HO2 1
CH4 3 H2CO 3 O 1
O2 3 HOCl 2 ClON2O 2
NO 3 N2 1 NO 1
SO2 2 HCN 3 HOBr 2
NO2 1 CH3Cl 2 C2H4 2
NH3 2 H2O2 1 CH3OH 1
HNO3 1 C2H2 2 CH3Br 2
OH 3 C2H6 1 CH3CN 1
HF 1 PH3 1 CF4 1
97 Isotopologues
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Species Currently Covered (IR Cross-sections)
Molecule Name Molecule Name
SF6 Sulfur hexafluoride CHClFCF3 HCFC-124
ClON2O Chlorine nitrate CH3CCl2F HCFC-141b
CCl4 Carbon Tetrachloride CH3CClF2 HCFC-142b
N2O5 Dinitrogen pentoxide CHCl2CF2CF3 HCFC-225ca
HNO4 Peroxynitric acid CClF2CF2CHClF HCFC-225cb
C2F6 CFC-116 CH2F2 HFC-32
CCl3F CFC-11 CHF2CF3 HFC-125
CCl2F2 CFC-12 CHF2CHF2 HFC-134
CClF3 CFC-13 CFH2CF3 HFC-134a
CF4 CFC-14 CF3CH3 HFC-143a
C2Cl2F3 CFC-113 CH3CHF2 HFC-152a
C2Cl2F4 CFC-114 SF5CF3 Trifluoromethyl sulfur pentafluoride
C2ClF5 CFC-115 CH3C(O)OONO2 PAN
CHCl2F HCFC-21 CH3CN Methyl cyanide
CHClF2 HCFC-22 C6H6 Benzene
CHCl2CF3 HCFC-123
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IUPAC Water-Vapor Task
Distributed Information System

• Collect all kinds of original information about
  the high-resolution spectroscopy of the water
  molecule

• Provide active storage of these data and related
  metadata

• Deliver information to users in different forms
  via the Internet

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IUPAC vs HITRAN Ro-vibrational levels for H217O
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Intersection des Banques de Données HITRAN et
HITEMP
H I T E M P
HITRAN
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HITRAN vs HITEMP CO2

• 250 ppm CO2
• 5-meter source
• 100 feet above the surface

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HITEMP

• Line-absorption parameters in HITRAN format
• Constituents
• - Water Vapor 0 to 25000 cm-1 _at_ 1000K,1500K
• - Carbon Dioxide 400 to 10000 cm-1 _at_ 1000K
• - Carbon Monoxide 0 to 10000 cm-1 _at_ solar
  temperature
• - Hydroxyl Radical 0 to 19300 cm-1 _at_NLTE

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New HITEMP Water List Assembly
Convert to HITRAN2004 format
Combination of BT2, high-temperature experiments,
and HITRAN
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Improvements and Enhancements to the Compilation
being considered
?More temperature-pressure sets of
cross-sections (IR and UV) ?Improved database
structure (IUPAC paradigm) ?High-temperature
parameters (HITEMP) ?Molecules for astrophysics
applications ?Refined line-shape
parameters ?Additional line-mixing
algorithms ?Collision-Induced Absorption bands
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Access
web site http//cfa.harvard.edu/HITRAN

• Gives instructions for accessing compilation
  (free)
• Updates
• - Documentation
• - Links to related databases
• - HITRAN facts
• - Related conferences

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JavaHAWKS
Java version of HITRAN Atmospheric WorKStation

• Functions to manipulate and filter the HITRAN
  and
• associated molecular spectroscopic databases

• Plotting of line-by-line files and
  cross-section files

• Internet access to HITRAN and other related
  databases

• Links to abstracts that are the sources for
• HITRAN parameters

• Access to archival HITRAN documentation

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Some Sources of Errors in the HITRAN Database

• Theory
• Perturbations
• Line shapes
• Lack of convergence
• Limit of basis sets

• Measurement
• Calibration
• Resolution
• Photometric accuracy
• Pressure, temperature, stability,
• Methods of analysis
• Identification of lines

• Units
• Transcription

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HITRAN International Advisory Committee
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Typical Cross-section files
CCl2F2 (CFC-12)
CClF3 (CFC-13)
CF4 (CFC-14)
SF6
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Comparison of different theoretical line
lists with high-temperature observation