O2

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Species data
Common Formula O2
Stoichiometric Formula O2
Name Molecular oxygen
Mass   31.98983 a.m.u
Charge   0
CAS   7782-44-7
Inchi InChI=1S/O2/c1-2
InchiKey MYMOFIZGZYHOMD-UHFFFAOYSA-N
State Ground State
Electronic state

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KIDA O2

ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: total
Value 3): 1.562
Method: Measurements
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Dipole moment  
Value (D): 0
Method: N/A
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Enthalpy of formation  
T (K): 298
Value (kJ.mol-1) : 0
Method: N/A
Origin: Other database
Reference:
T (K): 0
Value (kJ.mol-1) : 0
Method: N/A
Origin: Other database
Reference:
Desorption energy  
Emean (K): 1200 ±360
E min (K): 0
E max (K): 0
Pre-exponential factor (s-1): 0.00E+0
Method: Calculations
Origin: Bibliography
Reference: Wakelam, V. et al. ;2017;ArXiv e-prints;,
Type of surface: H2O
Description: To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
Evaluation:  
Emean (K): 1000
E min (K): 0
E max (K): 0
Pre-exponential factor (s-1): 0.00E+0
Method: Estimation
Origin: Other database
Reference:
Type of surface: H2O
Description: This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Herma Cuppen's suggestion The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Evaluation:  
Diffusion energy  
No data