Sulfur trioxide anion
- Formula: O3S-
- Molecular weight: 80.064
- CAS Registry Number: 12210-38-7
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Gas phase thermochemistry data
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -138.4 ± 2.3 | kcal/mol | R-EA | Gleason, 1987 | See also Dobrin, Boo, et al., 2000 |
ΔfH°gas | -142.2 ± 1.8 | kcal/mol | TDEq | Rudny, Sidorov, et al., 1985 | EA is calculated at 298 K.; value altered from reference due to conversion from electron convention to ion convention |
Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: O3S- + CO2 = (O3S- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.50 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.30 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: O3S- + H2O = (O3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.60 ± 0.20 | kcal/mol | IMRE | Möhler, Reiner, et al., 1992 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: O3S- + O2S = (O3S- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.30 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (O3S- • O2S • O2) + O2S = (O3S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.70 ± 0.60 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.6 ± 2.1 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O3S- • O2) + O2S = (O3S- • O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.50 ± 0.80 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 ± 2.2 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Vibrational and/or electronic energy levels
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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: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
S=O stretch | 1191 | Cs | Ar | IR | Stanbury, Holme, et al., 1986 | ||
S-O stretch | 1093 | Cs | Ar | IR | Stanbury, Holme, et al., 1986 | ||
S-O stretch | 1091 | Cs | Ar | IR | Stanbury, Holme, et al., 1986 | ||
S-O stretch | 965 | Cs | Ar | IR | Stanbury, Holme, et al., 1986 | ||
585 | Cs | Ar | IR | Stanbury, Holme, et al., 1986 | |||
504 | Cs | Ar | IR | Stanbury, Holme, et al., 1986 | |||
474 | T Cs | Ar | IR | Stanbury, Holme, et al., 1986 | |||
Additional references: Jacox, 1994, page 223
Notes
T | Tentative assignment or approximate value |
Cs | Interaction with cesium |
References
Go To: Top, Gas phase thermochemistry data, Ion clustering 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.
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]
Keesee, Lee, et al., 1980
Keesee, R.G.; Lee, N.; Castleman, A.W., Jr.,
Properties of clusters in the gas phase: V. Complexes of neutral molecules onto negative ions,
J. Chem. Phys., 1980, 73, 2195. [all data]
Möhler, Reiner, et al., 1992
Möhler, O.; Reiner, T.; Arnold, F.,
The Formation of SO5(-) by Gas Phase Ion-Molecule Reactions,
J. Chem. Phys., 1992, 97, 11, 8233, https://doi.org/10.1063/1.463394
. [all data]
Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E.,
Laboratory studies of negative ion reactions with atmospheric trace constituents,
J. Chem. Phys., 1974, 61, 3181. [all data]
Vacher, Jorda, et al., 1992
Vacher, J.R.; Jorda, M.; Leduc, E.; Fitaire, M.,
A Determination of the Stabilities of Negative Ion Clusters in SO2 and SO2-O2 Mixtures,
Int. J. Mass Spectrom. Ion Proc., 1992, 114, 3, 149, https://doi.org/10.1016/0168-1176(92)80033-W
. [all data]
Stanbury, Holme, et al., 1986
Stanbury, D.M.; Holme, T.A.; Kafafi, Z.H.; Margrave, J.L.,
AB initio calculations and matrix ftir studies of the sulfur trioxide radical anion,
Chem. Phys. Lett., 1986, 129, 2, 181, https://doi.org/10.1016/0009-2614(86)80193-2
. [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]
Notes
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- Symbols used in this document:
T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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