FSO3
- Formula: FO3S
- Molecular weight: 99.062
- CAS Registry Number: 15181-47-2
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Reaction 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.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: (FO3S • 4294967295O3S) + O3S = FO3S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 341. ± 14. | kJ/mol | Ther | Viggiano, Henchman, et al., 1992 | gas phase |
ΔrH° | <488. ± 19. | kJ/mol | CIDT | Hao, Gilbert, et al., 2006 | gas phase |
ΔrH° | 330. ± 42. | kJ/mol | IMRB | Larson and McMahon, 1985 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 300. ± 42. | kJ/mol | IMRB | Larson and McMahon, 1985 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable. |
Vibrational and/or electronic energy levels
Go To: Top, Reaction 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: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 19383.1 | gas | C-X | 360 | 550 | King, Santry, et al., 1969 | ||
King and Warren, 1969 | |||||||
King and Warren, 1969, 2 | |||||||
To = 19077 ± 5 | Ar | C-X | 420 | 525 | Suzuki, Nibler, et al., 1975 | ||
To = 18986 ± 5 | N2 | C-X | 420 | 525 | Suzuki, Nibler, et al., 1975 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | SO stretch | 952.9 | gas | AB | King and Warren, 1969 | |
1 | SO stretch | 947 ± 10 | Ar | AB | Suzuki, Nibler, et al., 1975 | ||
1 | SO stretch | 966 ± 10 | N2 | AB | Suzuki, Nibler, et al., 1975 | ||
2 | SF stretch | 800.5 | gas | AB | King and Warren, 1969 | ||
2 | SF stretch | 796 ± 10 | Ar | AB | Suzuki, Nibler, et al., 1975 | ||
2 | SF stretch | 820 ± 10 | N2 | AB | Suzuki, Nibler, et al., 1975 | ||
3 | SO deform. | 515.0 | gas | AB | King and Warren, 1969 | ||
3 | SO deform. | 512 ± 10 | Ar | AB | Suzuki, Nibler, et al., 1975 | ||
3 | SO deform. | 511 ± 10 | N2 | AB | Suzuki, Nibler, et al., 1975 | ||
e | 4 | SO stretch | 1114.5 | gas | AB | King and Warren, 1969 | |
5 | SO deform. | 505.7 | gas | AB | King and Warren, 1969 | ||
6 | SF wag | 346.9 | gas | AB | King and Warren, 1969 | ||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
gas | B-X | 570 | 1000 | King, Santry, et al., 1969 | |||
King and Warren, 1969 | |||||||
King and Warren, 1969, 2 | |||||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
gas | A-X | 1000 | 2000 | King, Santry, et al., 1969 | |||
King and Warren, 1969 | |||||||
King and Warren, 1969, 2 | |||||||
State: X
Additional references: Jacox, 1994, page 300; Warren, 1980, 2
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Reaction 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.
Viggiano, Henchman, et al., 1992
Viggiano, A.A.; Henchman, M.J.; Dale, F.; Deakyne, C.A.; Paulson, J.F.,
Gas-Phase Reactions of Weak Bronsted Bases I-, PO3-, HSO4-, FSO3-, and CF3SO3- with Strong Bronsted Acids H2SO4, FSO3H, and CF3SO3H - A Quantitative Study,
J. Am. Chem. Soc., 1992, 114, 11, 4299, https://doi.org/10.1021/ja00037a039
. [all data]
Hao, Gilbert, et al., 2006
Hao, C.; Gilbert, T.M.; Sunderlin, L.S.,
The Bond Dissociation Energies of SO3-X- (X = F, Cl, Br, and I),
Can. J. Chem., 2006, 83, 11, 2013-2019, https://doi.org/10.1139/v05-216
. [all data]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
King, Santry, et al., 1969
King, G.W.; Santry, D.P.; Warren, C.H.,
The fluorosulfate radical,
J. Mol. Spectrosc., 1969, 32, 1, 108, https://doi.org/10.1016/0022-2852(69)90146-5
. [all data]
King and Warren, 1969
King, G.W.; Warren, C.H.,
The fluorosulfate radical,
J. Mol. Spectrosc., 1969, 32, 1, 121, https://doi.org/10.1016/0022-2852(69)90147-7
. [all data]
King and Warren, 1969, 2
King, G.W.; Warren, C.H.,
The fluorosulfate radical,
J. Mol. Spectrosc., 1969, 32, 1, 138, https://doi.org/10.1016/0022-2852(69)90148-9
. [all data]
Suzuki, Nibler, et al., 1975
Suzuki, E.M.; Nibler, J.W.; Oakes, K.A.; Eggers, D., Jr.,
Matrix isolation study of S2O6F2 pyrolysis products: The infrared spectrum of SO3F radical,
J. Mol. Spectrosc., 1975, 58, 2, 201, https://doi.org/10.1016/0022-2852(75)90106-X
. [all data]
Warren, 1980
Warren, C.H.,
Argon-ion laser excitation of the fluorosulfate radical,
J. Mol. Spectrosc., 1980, 83, 2, 451, https://doi.org/10.1016/0022-2852(80)90069-7
. [all data]
Croce, 1990
Croce, A.E.,
J. Photochem. Photobiol., 1990, A:Chem. 51, 293. [all data]
Beckers, Willner, et al., 2008
Beckers, H.; Willner, H.; Grote, D.; Sander, W.,
EPR and IR spectra of the FSO[sub 3] radical revisited: Strong vibronic interactions in the [sup 2]A[sub 2] electronic ground state,
J. Chem. Phys., 2008, 128, 8, 084501, https://doi.org/10.1063/1.2831511
. [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]
Warren, 1980, 2
Warren, C.H.,
Dye laser excitation of the fluorosulfate radical,
J. Mol. Spectrosc., 1980, 84, 1, 102, https://doi.org/10.1016/0022-2852(80)90243-X
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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