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Oxygen monofluoride

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Deltafgas108.78kJ/molReviewChase, 1998Data last reviewed in September, 1995
Quantity Value Units Method Reference Comment
gas,1 bar216.70J/mol*KReviewChase, 1998Data last reviewed in September, 1995

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1000.1000. - 6000.
A 20.7890836.96798
B 39.989710.962241
C -36.43344-0.105805
D 12.198030.011789
E 0.073183-1.228854
F 101.351594.32117
G 231.8538256.1282
H 108.7840108.7840
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1995 Data last reviewed in September, 1995

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to FO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.77eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)508.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity482.2kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.2720 ± 0.0060LPESGilles, Polak, et al., 1992B
2.050 ± 0.080EIAEAlekseev, Volkov, et al., 1984From F2O; B
>1.40 ± 0.50EIAEThynne and MacNeil, 1970From CF3OF; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.78 ± 0.03PIZhang, Kuo, et al., 1994LL
12.77PEDyke, Jonathan, et al., 1980LLK
12.8 ± 0.1DERBerkowitz, Dehmer, et al., 1973LLK

Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 19F16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 2Pi 0 [1028.7] 1 (5.15) 2  (1.104) 2 (0.0097)    1.326 2  

Notes

1From matrix IR absorption and Raman spectra in Ar Arkell, Reinhard, et al., 1965, Andrews and Raymond, 1971, Andrews, 1972. O'Hare and Wahl, 1970 suggest a corrected gas phase frequency of 1050 cm-1.
2Theoretical calculations O'Hare and Wahl, 1970.
3Indirectly from the difference between the electron impact appearance potentials of FO+ from FO and F2O Clyne and Watson, 1971 and the known heat of atomization of F2O; see also O'Hare and Wahl, 1970, Levy, 1972.
4Photoionization mass spectrometry of F2O Berkowitz, Dehmer, et al., 1973. See also O'Hare and Wahl, 1970.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Gilles, Polak, et al., 1992
Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Halogen Oxide Anions FO-, ClO-, BrO-, IO-, OClO-, and OIO-, J. Chem. Phys., 1992, 96, 11, 8012, https://doi.org/10.1063/1.462352 . [all data]

Alekseev, Volkov, et al., 1984
Alekseev, V.I.; Volkov, V.M.; Fedorova, L.I.; Baluev, A.V., Mass Spectrometric Study of the Ionization of an Oxygen Difluoride Molecule, Izv. Akad. Nauk SSR Ser. Khim. 1302, 1984. [all data]

Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G., Ionisation and dissociation of carbonyl fluoride and trifluoromethyl hypofluorite by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 95. [all data]

Zhang, Kuo, et al., 1994
Zhang, Z.; Kuo, S.-C.; Klemm, R.B.; Monks, P.S.; Stief, L.J., A discharge flow-photoionization mass spectrometric study of the FO (X 2i) radical. Photoionization efficiency spectrum and ionization energy, Chem. Phys. Lett., 1994, 229, 377. [all data]

Dyke, Jonathan, et al., 1980
Dyke, J.M.; Jonathan, N.; Mills, J.D.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species Part 12. TheFO(X2«pi»1) radical, Mol. Phys., 1980, 40, 1177. [all data]

Berkowitz, Dehmer, et al., 1973
Berkowitz, J.; Dehmer, P.M.; Chupka, W.A., Photoionization mass spectrometry of F2O, J. Chem. Phys., 1973, 59, 925. [all data]

Arkell, Reinhard, et al., 1965
Arkell, A.; Reinhard, R.R.; Larson, L.P., Matrix infrared studies of OF compounds. I. The OF radical, J. Am. Chem. Soc., 1965, 87, 1016. [all data]

Andrews and Raymond, 1971
Andrews, L.; Raymond, J.I., Matrix infrared spectrum of OF and detection of LiOF, J. Chem. Phys., 1971, 55, 3078. [all data]

Andrews, 1972
Andrews, L., Argon matrix Raman spectra of oxygen difluoride and the oxygen fluoride free radical, J. Chem. Phys., 1972, 57, 51. [all data]

O'Hare and Wahl, 1970
O'Hare, P.A.G.; Wahl, A.C., Oxygen monofluoride (OF, 2«PI»): Hartree-Fock wavefunction, binding energy, ionization potential, electron affinity, dipole and quadrupole moments, and spectroscopic constants. A comparison of theoretical and experimental results, J. Chem. Phys., 1970, 53, 2469. [all data]

Clyne and Watson, 1971
Clyne, M.A.A.; Watson, R.T., Detection of the ground state FO radical in the gas phase, Chem. Phys. Lett., 1971, 12, 344. [all data]

Levy, 1972
Levy, D.H., Production of hydroxyl in the reaction of H + F2O and the binding energy of FO, J. Chem. Phys., 1972, 56, 1415. [all data]


Notes

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