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Sulfuric Acid

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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

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
Proton affinity (review)699.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity666.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion500. ± 20.kJ/molN/AN/A 

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
683. ± 5.Do, Klein, et al., 1998T = T(eff) = 800 - 1250K; H2S; H2CO. «DELTA»GB values from kinetic bracketing were extrapolated to 298 K. «DELTA»Sp from ab initio rot. and vib. constants; MM
>=680.Do, Klein, et al., 1998MM

Protonation entropy at 298K

Protonation entropy (J/mol*K) Reference Comment
4.9Do, Klein, et al., 1998T = T(eff) = 800 - 1250K; H2S; H2CO. «DELTA»GB values from kinetic bracketing were extrapolated to 298 K. «DELTA»Sp from ab initio rot. and vib. constants; MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.40 ± 0.05EISnow and Thomas, 1990LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HSO3+13.9 ± 0.1HOEISnow and Thomas, 1990LL
H2O+13.2 ± 0.2SO3EISnow and Thomas, 1990LL
SO2+15.97 ± 0.15H2O2EISnow and Thomas, 1990LL
SO3+13.8 ± 0.2H2OEISnow and Thomas, 1990LL

De-protonation reactions

HO4S- + Hydrogen cation = Sulfuric Acid

By formula: HO4S- + H+ = H2O4S

Quantity Value Units Method Reference Comment
Deltar1295. ± 23.kJ/molD-EAWang, Nicholas, et al., 2000gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B
Deltar1295. ± 11.kJ/molG+TSViggiano, Henchman, et al., 1992gas phase; B
Deltar1325.5kJ/molLattHouse Jr. and Kemper, 1987gas phase; From lattice energy of NH4HSO4, with new PA(NH3); B
Deltar<1319.6kJ/molG+TSVigiano, Perry, et al., 1980gas phase; I- + H2SO4 ->.; B
Deltar<1312. ± 8.4kJ/molEIAEAdams, Smith, et al., 1986gas phase; From H2SO4 (AP 0eV); B
Quantity Value Units Method Reference Comment
Deltar1265. ± 23.kJ/molH-TSWang, Nicholas, et al., 2000gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B
Deltar1265. ± 10.kJ/molIMRBViggiano, Henchman, et al., 1992gas phase; B
Deltar<1288.7kJ/molIMRBVigiano, Perry, et al., 1980gas phase; I- + H2SO4 ->.; B
Deltar<1281. ± 9.6kJ/molH-TSAdams, Smith, et al., 1986gas phase; From H2SO4 (AP 0eV); B

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]

Do, Klein, et al., 1998
Do, K.; Klein, T.P.; Pommering, C.A.; Bachrach, S.M.; Sunderlin, L.S., The gas-phase basicity of sulfuric acid, J. Am. Chem. Soc., 1998, 120, 6093. [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]

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]

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]

House Jr. and Kemper, 1987
House Jr.; Kemper, K.A., Proton Affinities of Sulfate and Bisulfate Ions, J. Thermal Anal., 1987, 32, 6, 1855, https://doi.org/10.1007/BF01913977 . [all data]

Vigiano, Perry, et al., 1980
Vigiano, A.A.; Perry, R.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C., The role of H2SO4 in stratospheric negative ion chemistry, J. Geophys. Res., 1980, 85, 4551. [all data]

Adams, Smith, et al., 1986
Adams, N.G.; Smith, D.; Viggiano, A.A.; Paulson, J.F.; Henchman, M.J., Dissociative attachment reactions of electron with strong acid molecules, J. Chem. Phys., 1986, 84, 6728. [all data]


Notes

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