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sulphur trioxide

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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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

(FO3S bullet 4294967295sulphur trioxide) + sulphur trioxide = FO3S

By formula: (FO3S bullet 4294967295O3S) + O3S = FO3S

Quantity Value Units Method Reference Comment
Deltar341. ± 14.kJ/molTherViggiano, Henchman, et al., 1992gas phase; B
Deltar<488. ± 19.kJ/molCIDTHao, Gilbert, et al., 2006gas phase; B
Deltar330. ± 42.kJ/molIMRBLarson and McMahon, 1985gas 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.; B
Quantity Value Units Method Reference Comment
Deltar300. ± 42.kJ/molIMRBLarson and McMahon, 1985gas 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.; B

(CAS Reg. No. 14996-02-2 bullet 4294967295sulphur trioxide) + sulphur trioxide = CAS Reg. No. 14996-02-2

By formula: (CAS Reg. No. 14996-02-2 bullet 4294967295O3S) + O3S = CAS Reg. No. 14996-02-2

Quantity Value Units Method Reference Comment
Deltar433. ± 23.kJ/molN/AWang, Nicholas, et al., 2000gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B

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

By formula: Cl- + O3S = (Cl- bullet O3S)

Quantity Value Units Method Reference Comment
Deltar225. ± 13.kJ/molCIDTHao, Gilbert, et al., 2006gas phase; 0K threshold 53.0 kcal/mol. scaled to 298K with B3LYP data.; B

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

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

Quantity Value Units Method Reference Comment
Deltar450. ± 22.kJ/molN/AWang, Nicholas, et al., 2000gas phase; B

1-Octanol + sulphur trioxide = C8H18O4S

By formula: C8H18O + O3S = C8H18O4S

Quantity Value Units Method Reference Comment
Deltar93. ± 2.kJ/molCmMarkitanova, Barsukov, et al., 1981liquid phase; solvent: Dichloromethane; ALS

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

By formula: F- + O3S = (F- bullet O3S)

Quantity Value Units Method Reference Comment
Deltar330. ± 42.kJ/molICRLarson and McMahon, 1985gas phase; bracketing; M

Iodide + sulphur trioxide = IO3S-

By formula: I- + O3S = IO3S-

Quantity Value Units Method Reference Comment
Deltar161. ± 8.8kJ/molCIDTHao, Gilbert, et al., 2006gas phase; B

Bromine anion + sulphur trioxide = BrO3S-

By formula: Br- + O3S = BrO3S-

Quantity Value Units Method Reference Comment
Deltar179. ± 11.kJ/molCIDTHao, Gilbert, et al., 2006gas phase; B

References

Go To: Top, Reaction thermochemistry data, 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]

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]

Markitanova, Barsukov, et al., 1981
Markitanova, L.I.; Barsukov, I.I.; Passet, B.V., Determination of heat of sulfation by calorimetric titration, J. Gen. Chem. USSR, 1981, 51, 1286-1289. [all data]


Notes

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