sulphur trioxide
- Formula: O3S
- Molecular weight: 80.063
- IUPAC Standard InChIKey: AKEJUJNQAAGONA-UHFFFAOYSA-N
- CAS Registry Number: 7446-11-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Sulfur trioxide
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Gas phase ion energetics data
Go To: Top, 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to O3S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.80 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 588.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 560.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.90 ± 0.10 | IMRB | Gleason, 1987 | See also Dobrin, Boo, et al., 2000; B |
2.064 ± 0.085 | R-A | Rudny, Sidorov, et al., 1985 | EA is calculated at 298 K.; value altered from reference due to conversion from electron convention to ion convention; B |
1.70 ± 0.15 | NBIE | Rothe, Tang, et al., 1975 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.15 ± 0.05 | EI | Snow and Thomas, 1990 | LL |
13.2 ± 0.2 | EI | Smith and Stevenson, 1981 | LLK |
12.82 ± 0.01 | PE | Lloyd, Roberts, et al., 1976 | LLK |
12.81 ± 0.03 | PE | Alderdice and Dixon, 1976 | LLK |
12.82 ± 0.03 | PE | Mines and Thomas, 1974 | LLK |
12.73 ± 0.05 | PE | DeKock and Lloyd, 1973 | LLK |
11.0 ± 0.5 | EI | Ficalora, Uy, et al., 1968 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
OS+ | 15.1 ± 0.1 | O2 | EI | Snow and Thomas, 1990 | LL |
OS+ | 14.8 ± 0.2 | O2 | EI | Smith and Stevenson, 1981 | LLK |
O2+ | 16.8 ± 0.5 | SO | EI | Smith and Stevenson, 1981 | LLK |
O2S+ | 18.4 ± 0.1 | O | EI | Snow and Thomas, 1990 | LL |
O2S+ | 18.3 ± 0.4 | O | EI | Smith and Stevenson, 1981 | LLK |
S+ | 20.3 ± 0.5 | O2+O | EI | Smith and Stevenson, 1981 | LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Gleason, 1987
Gleason, J.F.,
as cited in 95MIL/VIG, Ph.D. dissertation, Univ. of Colorado,, 1987. [all data]
Dobrin, Boo, et al., 2000
Dobrin, S.; Boo, B.H.; Alconcel, L.S.; Continetti, R.E.,
Photoelectron spectroscopy of SO3- at 355 and 266 nm,
J. Phys. Chem. A, 2000, 104, 46, 10695-10700, https://doi.org/10.1021/jp0025680
. [all data]
Rudny, Sidorov, et al., 1985
Rudny, E.B.; Sidorov, L.N.; Voyk, O.M.,
Heterolytic Dissociation of Potassium Sulfate in the Gas Phase and Heats of Formation for Trioxosulfate(1-), Tetraoxosulfate(1-), and Potassium Sulfate(KSO4-) Ions,
High Temp., 1985, 23, 238. [all data]
Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P.,
Measurement of electron affinities of O3, SO2, and SO3 by collisional ionization,
J. Chem. Phys., 1975, 62, 3829. [all data]
Snow and Thomas, 1990
Snow, K.B.; Thomas, T.F.,
Mass spectrum, ionization potential, and appearance potentials for fragment ions of sulfuric acid vapor,
Int. J. Mass Spectrom. Ion Processes, 1990, 96, 49. [all data]
Smith and Stevenson, 1981
Smith, O.I.; Stevenson, J.S.,
Determination of cross sections for formation of parent and fragment ions by electron impact from SO2 and SO3,
J. Chem. Phys., 1981, 74, 6777. [all data]
Lloyd, Roberts, et al., 1976
Lloyd, D.R.; Roberts, P.J.; Hillier, I.H.; Shenton, I.C.,
On the photoelectron spectrum of sulphur trioxide,
Mol. Phys., 1976, 31, 1549. [all data]
Alderdice and Dixon, 1976
Alderdice, D.S.; Dixon, R.N.,
Photoelectron spectrum of sulphur trioxide,
J. Chem. Soc. Faraday Trans. 2, 1976, 72, 372. [all data]
Mines and Thomas, 1974
Mines, G.W.; Thomas, R.K.,
The photoelectron spectrum of sulphur trioxide: Jahn-Teller distortion in SO3+,
Proc. R. Soc. London A:, 1974, 336, 355. [all data]
DeKock and Lloyd, 1973
DeKock, R.L.; Lloyd, D.R.,
The HeIphotoelectron spectrum of sulphur trioxide,
J. Chem. Soc. Dalton Trans., 1973, 526. [all data]
Ficalora, Uy, et al., 1968
Ficalora, P.J.; Uy, O.M.; Muenow, D.W.; Margrave, J.L.,
Mass spectrometric studies at high temperatures: XXIX. Thermal decomposition and sublimation of alkali metal sulfates,
J. Am. Ceram. Soc., 1968, 51, 574. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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