sulphur trioxide

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Gas phase ion energetics 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 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 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)140.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity133.9kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.90 ± 0.10IMRBGleason, 1987See also Dobrin, Boo, et al., 2000; B
2.064 ± 0.085R-ARudny, Sidorov, et al., 1985EA is calculated at 298 K.; value altered from reference due to conversion from electron convention to ion convention; B
1.70 ± 0.15NBIERothe, Tang, et al., 1975B

Ionization energy determinations

IE (eV) Method Reference Comment
13.15 ± 0.05EISnow and Thomas, 1990LL
13.2 ± 0.2EISmith and Stevenson, 1981LLK
12.82 ± 0.01PELloyd, Roberts, et al., 1976LLK
12.81 ± 0.03PEAlderdice and Dixon, 1976LLK
12.82 ± 0.03PEMines and Thomas, 1974LLK
12.73 ± 0.05PEDeKock and Lloyd, 1973LLK
11.0 ± 0.5EIFicalora, Uy, et al., 1968RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
OS+15.1 ± 0.1O2EISnow and Thomas, 1990LL
OS+14.8 ± 0.2O2EISmith and Stevenson, 1981LLK
O2+16.8 ± 0.5SOEISmith and Stevenson, 1981LLK
O2S+18.4 ± 0.1OEISnow and Thomas, 1990LL
O2S+18.3 ± 0.4OEISmith and Stevenson, 1981LLK
S+20.3 ± 0.5O2+OEISmith and Stevenson, 1981LLK

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

Bromine anion + sulphur trioxide = BrO3S-

By formula: Br- + O3S = BrO3S-

Quantity Value Units Method Reference Comment
Δr42.8 ± 2.6kcal/molCIDTHao, Gilbert, et al., 2006gas phase; B

Chlorine anion + sulphur trioxide = (Chlorine anion • sulphur trioxide)

By formula: Cl- + O3S = (Cl- • O3S)

Quantity Value Units Method Reference Comment
Δr53.8 ± 3.1kcal/molCIDTHao, Gilbert, et al., 2006gas phase; 0K threshold 53.0 kcal/mol. scaled to 298K with B3LYP data.; B

Fluorine anion + sulphur trioxide = (Fluorine anion • sulphur trioxide)

By formula: F- + O3S = (F- • O3S)

Quantity Value Units Method Reference Comment
Δr78. ± 10.kcal/molICRLarson and McMahon, 1985gas phase; bracketing; M

Iodide + sulphur trioxide = IO3S-

By formula: I- + O3S = IO3S-

Quantity Value Units Method Reference Comment
Δr38.5 ± 2.1kcal/molCIDTHao, Gilbert, et al., 2006gas phase; B

(O4S- • 4294967295sulphur trioxide) + sulphur trioxide = O4S-

By formula: (O4S- • 4294967295O3S) + O3S = O4S-

Quantity Value Units Method Reference Comment
Δr107.6 ± 5.2kcal/molN/AWang, Nicholas, et al., 2000gas phase; B

References

Go To: Top, Gas phase ion energetics data, Ion clustering 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]

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]

Wang, Nicholas, et al., 2000
Wang, X.B.; Nicholas, J.B.; Wang, L.S., Photoelectron spectroscopy and theoretical calculations of SO4- and HSO4-: Confirmation of high electron affinities of SO4 and HSO4, J. Phys. Chem. A, 2000, 104, 3, 504-508, https://doi.org/10.1021/jp992726r . [all data]


Notes

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