The HITRAN Database

Symposium on Laboratory
Astrophysics at the CfA
Cambridge, USA
20 September 2010
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Joseph-Marie Jacquard – 1801
Charles Babbage ~ 1820
HITRAN – 1973
Florida - 2000
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Mol I2 Molecule number
Iso I1 Isotopologue no.(1 = most abundant, 2 = second most abundant, …)
ν if F12.6 Transition wavenumber in vacuum [cm -1 ]
S if E10.3 Intensity [cm -1 /(molecule·cm -2 ) @ 296K]
A if E10.3 Einstein A-coefficient [s -1 ]
γ air F5.4 Air-broadened half-width (HWHM) [cm -1 /atm @ 296K]
γ self F5.4 Self-broadened half-width (HWHM) [cm -1 /atm @ 296K]
E″ F10.4 Lower-state energy [cm -1 ]
n air F4.2 Temperature-dependence coefficient of γ air
δ air F8.6 Air pressure-induced shift [cm -1 /atm @ 296K]
v′, v″ 2A15 Upper and Lower “global” quanta
q′, q″ 2A15 Upper and Lower “local” quanta
ierr 6I1 Uncertainty indices for ν if , S if , γ air , γ self , n air , δ air
iref 6I2 Reference pointers for ν if , S if , γ air , γ self , n air , δ air
* A1 Flag for line-coupling algorithm
g′, g″ 2F7.1 Upper and Lower statistical weights
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Level 1
HITRAN
(line-transition
parameters)
Level 2
Supplemental
Molecule-
by-molecule
Level 3
JavaHAWKS Software Installers and Documentation
IR
Crosssections
Lineby-line
Supplemental
UV
Crosssections
Alternate
Aerosol
Refractive
Indices
Line
Coupling
CO 2
data
Global Data
Files, Tables,
and References
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Molecule
# of isotopologues
Molecule
# of isotopologues
Molecule
H 2 O 6 HCl 2 COF 2 1
CO 2 8 HBr 2 SF 6 1
O 3 5 HI 1 H 2 S 3
N 2 O 5 ClO 2 HCOOH 1
CO 6 OCS 5 HO 2 1
CH 4 3 H 2 CO 3 O 1
O 2 3 HOCl 2 ClON 2O 2
NO 3 N 2 1 NO + 1
SO 2 2 HCN 3 HOBr 2
NO 2 1 CH 3 Cl 2 C 2 H 4 2
NH 3 2 H 2 O 2 1 CH 3 OH 1
HNO 3 1 C 2 H 2 2 CH 3 Br 2
OH 3 C 2H 6 1 CH 3CN 1
HF 1 PH 3 1 CF 4 1
# of isotopologues
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Molecule Name Molecule Name
SF 6 Sulfur hexafluoride CHClFCF 3 HCFC-124
ClON 2O Chlorine nitrate CH 3CCl 2F HCFC-141b
CCl 4 Carbon Tetrachloride CH 3CClF 2 HCFC-142b
N 2O 5 Dinitrogen pentoxide CHCl 2CF 2CF 3 HCFC-225ca
HNO 4 Peroxynitric acid CClF 2 CF 2 CHClF HCFC-225cb
C 2F 6 CFC-116 CH 2F 2 HFC-32
CCl 3 F CFC-11 CHF 2 CF 3 HFC-125
CCl 2 F 2 CFC-12 CHF 2 CHF 2 HFC-134
CClF 3 CFC-13 CFH 2CF 3 HFC-134a
CF 4 CFC-14 CF 3 CH 3 HFC-143a
C2Cl2F3 CFC-113 CH3CHF2 HFC-152a
Trifluoromethyl sulfur
C2Cl2F4 CFC-114 SF5CF3 pentafluoride
C 2 ClF 5 CFC-115 CH 3 C(O)OONO 2 PAN
CHCl 2 F HCFC-21 CH 3 CN Methyl cyanide
CHClF 2 HCFC-22 C 6 H 6 Benzene
CHCl 2 CF 3
HCFC-123
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HITRAN law?
1995
HITEMP2010 has 125 705 570 transitions!!!!!

2.3 μm
new
1.7 μm
← Global fit →
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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 H 2 17 O
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• Measurement
– Calibration
– Resolution
– Photometric accuracy
– Pressure, temperature, stability, …
– Methods of analysis
– Identification of lines
• Units
• Transcription
• Theory
– Perturbations
– Line shapes
– Lack of convergence
– Limit of basis sets
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►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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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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• 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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CCl2F2 (CFC-12)
CClF3 (CFC-13)
CF4 (CFC-14)
SF 6
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