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, 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 | 108.78 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1995 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 216.70 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1000. | 1000. to 6000. |
|---|---|---|
| A | 20.78908 | 36.96798 |
| B | 39.98971 | 0.962241 |
| C | -36.43344 | -0.105805 |
| D | 12.19803 | 0.011789 |
| E | 0.073183 | -1.228854 |
| F | 101.3515 | 94.32117 |
| G | 231.8538 | 256.1282 |
| H | 108.7840 | 108.7840 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1995 | Data last reviewed in September, 1995 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry 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, 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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
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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