Oxygen monofluoride
- Formula: FO
- Molecular weight: 34.9978
- IUPAC Standard InChI: InChI=1S/FO/c1-2
- IUPAC Standard InChIKey: FXOFAYKVTOLJTJ-UHFFFAOYSA-N
- CAS Registry Number: 12061-70-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
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 |
|---|---|---|---|---|---|
| ΔfH°gas | 25.999 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1995 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 51.793 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1000. | 1000. to 6000. |
|---|---|---|
| A | 4.968710 | 8.835560 |
| B | 9.557771 | 0.229981 |
| C | -8.707802 | -0.025288 |
| D | 2.915400 | 0.002818 |
| E | 0.017491 | -0.293703 |
| F | 24.22359 | 22.54330 |
| G | 55.41439 | 61.21611 |
| H | 26.00000 | 26.00000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1995 | Data last reviewed in September, 1995 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
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) | 12.77 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 121.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 115.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.2720 ± 0.0060 | LPES | Gilles, Polak, et al., 1992 | B |
| 2.050 ± 0.080 | EIAE | Alekseev, Volkov, et al., 1984 | From F2O; B |
| >1.40 ± 0.50 | EIAE | Thynne and MacNeil, 1970 | From CF3OF; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.78 ± 0.03 | PI | Zhang, Kuo, et al., 1994 | LL |
| 12.77 | PE | Dyke, Jonathan, et al., 1980 | LLK |
| 12.8 ± 0.1 | DER | Berkowitz, Dehmer, et al., 1973 | LLK |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
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
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| X 2Π | 0 | [1028.7] 1 | (5.15) 2 | (1.104) 2 | (0.0097) | 1.326 2 |
Notes
| 1 | From 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. |
| 2 | Theoretical calculations O'Hare and Wahl, 1970. |
| 3 | Indirectly 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. |
| 4 | Photoionization 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, 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(X2π1) 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, 2Π): 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
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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