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 |
Reaction 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 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. 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: 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- • 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 |
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- + 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 |
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, 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.
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]
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]
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]
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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