Carbonyl fluoride
- Formula: CFO
- Molecular weight: 47.0085
- CAS Registry Number: 1871-24-5
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Gas phase thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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 | -171.54 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 248.48 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1965 |
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 1200. | 1200. to 6000. |
---|---|---|
A | 25.03538 | 56.72123 |
B | 57.48983 | 0.791822 |
C | -40.25673 | -0.155026 |
D | 10.46904 | 0.010465 |
E | 0.004584 | -4.819299 |
F | -181.2136 | -200.1111 |
G | 263.3569 | 301.0928 |
H | -171.5440 | -171.5440 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1965 | Data last reviewed in December, 1965 |
Vibrational and/or electronic energy levels
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: Marilyn E. Jacox
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 35741 | U | gas | C-X | 220 | 280 | Wang and Jones, 1972 | |
Maricq, Szente, et al., 1992 | |||||||
Maricq, Szente, et al., 1994 | |||||||
To = 35587 | U | Ar | C-X | 234 | 281 | Jacox, 1980 | |
To = 35211 | U | CO | C-X | 217 | 284 | Milligan, Jacox, et al., 1965 | |
Jacox, 1980 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
651 | T | gas | AB | Wang and Jones, 1972 Maricq, Szente, et al., 1992 Maricq, Szente, et al., 1994 | |||
650 | T | Ar | AB | Jacox, 1980 | |||
650 | T | CO | AB | Milligan, Jacox, et al., 1965 Jacox, 1980 | |||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 27000 | U | gas | B-X | 280 | 455 | Toby and Toby, 1981 | |
Hancock and Heard, 1991 | |||||||
Maricq, Szente, et al., 1992 | |||||||
Maricq, Szente, et al., 1994 | |||||||
Howie, Lane, et al., 2000 | |||||||
To = 24000 | L | gas | Maricq, Szente, et al., 1994 | ||||
To = 29586 | U | Ar | B-X | 284 | 338 | Jacox, 1980 | |
To = 29516 | U | CO | B-X | 289 | 339 | Milligan, Jacox, et al., 1965 | |
Jacox, 1980 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Π | 2 | Bend | 360 | H T | gas | AB CR | Maricq, Szente, et al., 1994 Howie, Lane, et al., 2000 |
2 | Bend | 350 | H T | Ar | AB | Jacox, 1980 | |
2 | Bend | 350 | H T | CO | AB | Milligan, Jacox, et al., 1965 Jacox, 1980 | |
Σ+ | 3 | CF stretch | 1080 | T | gas | CR | Howie, Lane, et al., 2000 |
3 | CF stretch | 1050 | T | Ar | AB | Jacox, 1980 | |
3 | CF stretch | 1050 | T | CO | AB | Milligan, Jacox, et al., 1965 Jacox, 1980 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CO stretch | 1861.64 | gas | DL | Nagai, Yamada, et al., 1981 | |
1 | CO stretch | 1857 | vs | Ar | IR | Jacox, 1980 | |
1 | CO stretch | 1855 | vs | CO | IR | Milligan, Jacox, et al., 1965 | |
2 | Bend | 627.5 | m | Ar | IR | Jacox, 1980 | |
2 | Bend | 626 | m | CO | IR | Milligan, Jacox, et al., 1965 | |
3 | CF stretch | 1026.13 | gas | DL | Nagai, Yamada, et al., 1981 | ||
3 | CF stretch | 1023 | vs | Ar | IR | Jacox, 1980 | |
3 | CF stretch | 1018 | s | CO | IR | Milligan, Jacox, et al., 1965 | |
Additional references: Jacox, 1994, page 90; Jacox, 1998, page 193; Jacox, 2003, page 134; Habara and Yamamoto, 2001; Habara, Maeda, et al., 2003
Notes
m | Medium |
s | Strong |
vs | Very strong |
H | (1/2)(2ν) |
L | Lower bound |
U | Upper bound |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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]
Wang and Jones, 1972
Wang, D.K.W.; Jones, W.E.,
Flash photolytic production of the FCO radical in the gas phase,
J. Photochem., 1972, 1, 2, 147, https://doi.org/10.1016/0047-2670(72)85002-0
. [all data]
Maricq, Szente, et al., 1992
Maricq, M.M.; Szente, J.J.; Khitrov, G.A.; Francisco, J.S.,
FCO: UV spectrum, self-reaction kinetics and chain reaction with F2,
Chem. Phys. Lett., 1992, 199, 1-2, 71, https://doi.org/10.1016/0009-2614(92)80051-C
. [all data]
Maricq, Szente, et al., 1994
Maricq, M.M.; Szente, J.J.; Su, Y.; Francisco, J.S.,
Ultraviolet spectroscopy of the B 2A' and C 2A' states of FCO,
J. Chem. Phys., 1994, 100, 12, 8673, https://doi.org/10.1063/1.466722
. [all data]
Jacox, 1980
Jacox, M.E.,
The reaction of F atoms with CO in an argon matrix. Vibrational and electronic spectra of FCO,
J. Mol. Spectrosc., 1980, 80, 2, 257, https://doi.org/10.1016/0022-2852(80)90138-1
. [all data]
Milligan, Jacox, et al., 1965
Milligan, D.E.; Jacox, M.E.; Bass, A.M.; Comeford, J.J.; Mann, D.E.,
Matrix-Isolation Study of the Reaction of F Atoms with CO. Infrared and Ultraviolet Spectra of the Free Radical FCO,
J. Chem. Phys., 1965, 42, 9, 3187, https://doi.org/10.1063/1.1696398
. [all data]
Toby and Toby, 1981
Toby, S.; Toby, F.S.,
Emission from fluorooxomethyl in the reactions of ozone with fluoroethenes,
J. Phys. Chem., 1981, 85, 26, 4071, https://doi.org/10.1021/j150626a024
. [all data]
Hancock and Heard, 1991
Hancock, G.; Heard, D.E.,
A search for the laser-induced fluorescence of the FCO(X2A´) radical,
J. Photochem. Photobiol A: Chem., 1991, 60, 3, 265, https://doi.org/10.1016/1010-6030(91)90028-R
. [all data]
Howie, Lane, et al., 2000
Howie, W.H.; Lane, I.C.; Orr-Ewing, A.J.,
The near ultraviolet spectrum of the FCO radical: Re-assignment of transitions and predissociation of the electronically excited state,
J. Chem. Phys., 2000, 113, 17, 7237, https://doi.org/10.1063/1.1313541
. [all data]
Nagai, Yamada, et al., 1981
Nagai, K.; Yamada, C.; Endo, Y.; Hirota, E.,
Infrared diode laser spectroscopy of FCO: The ν1 and ν2 bands,
J. Mol. Spectrosc., 1981, 90, 1, 249, https://doi.org/10.1016/0022-2852(81)90344-1
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Habara and Yamamoto, 2001
Habara, H.; Yamamoto, S.,
Microwave Spectrum of the FCO Radical in the 2A´ Electronic Ground State,
J. Mol. Spectrosc., 2001, 207, 2, 238, https://doi.org/10.1006/jmsp.2001.8354
. [all data]
Habara, Maeda, et al., 2003
Habara, H.; Maeda, A.; Amano, T.,
Submillimeter-wave spectrum of the FCO radical,
J. Mol. Spectrosc., 2003, 221, 1, 31, https://doi.org/10.1016/S0022-2852(03)00204-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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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