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Experimental data for FOO (Dioxygen monofluoride radical)

22 02 02 11 45
Other names
Oxygen fluoride;
INChI INChIKey SMILES IUPAC name
InChI=1S/FO2/c1-3-2 GQRAHKRZRKCZPQ-UHFFFAOYSA-N FO[O]
State Conformation
2A" CS
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 25.40 2.00 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 27.20 2.00 kJ mol-1 JANAF
Entropy (298.15K) entropy 259.50 0.20 J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 11.26   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 44.45   J K-1 mol-1 JANAF
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A' 1487   webbook      
2 A' 579   webbook      
3 A' 376   1973Bon/Nib:2125      

vibrational zero-point energy: 1221.1 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for FOO (Dioxygen monofluoride radical).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
2.61900 0.33401 0.29537 1984Yam/Hir:4694

Calculated rotational constants for FOO (Dioxygen monofluoride radical).
Product of moments of inertia moments of inertia
18541.21amu3Å6   8.48997036155156E-116gm3 cm6
Geometric Data
picture of Dioxygen monofluoride radical

Point Group Cs


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rOO 1.200   1 2 1984Yam/Hir:4694
rFO 1.649   2 3 1984Yam/Hir:4694
aOOF 111.19 1 2 3 1984Yam/Hir:4694

Cartesians
Atom x (Å) y (Å) z (Å)
O1 1.1475 0.2276 0.0000
O2 0.0000 0.5789 0.0000
F3 -1.0200 -0.7169 0.0000

Atom - Atom Distances bond lengths
Distances in Å
  O1 O2 F3
O1   1.20002.3643
O2 1.2000   1.6490
F3 2.36431.6490  

Calculated geometries for FOO (Dioxygen monofluoride radical).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
O1 O2 F3 111.190

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O-O 1
O-F 1

Connectivity
Atom 1 Atom 2
O1 O2
O2 F3
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2A"

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
12.600 0.200     webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 2A" Cs True           Cs 2 3
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for FOO (Dioxygen monofluoride radical).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 2A" Cs True       Cs 2 3

Calculated electric quadrupole moments for FOO (Dioxygen monofluoride radical).

References
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squib reference DOI
1973Bon/Nib:2125 VE Bondybey, JW Nibler "Infrared and Raman spectra of solid and matrix isolated diimide, HNNH" J. Chem. Phys. 58, 2125, 1973 10.1063/1.1679478
1984Yam/Hir:4694 Yamada, C.; Hirota, E. "The Infrared diode laser spectrum of the (nu)2 band of the FO2 radical." Journal of Chemical Physics. 80, 4694-4700 (1984) 10.1063/1.446534
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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