HSO4 anion

Formula: HO₄S^-
Molecular weight: 97.071
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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, References, Notes

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

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Individual Reactions

HO₄S^- + =

By formula: HO₄S^- + H⁺ = H₂O₄S

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1295. ± 23.	kJ/mol	D-EA	Wang, Nicholas, et al., 2000	gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B
Δ_rH°	1295. ± 11.	kJ/mol	G+TS	Viggiano, Henchman, et al., 1992	gas phase; B
Δ_rH°	1325.5	kJ/mol	Latt	House Jr. and Kemper, 1987	gas phase; From lattice energy of NH4HSO4, with new PA(NH3); B
Δ_rH°	<1319.6	kJ/mol	G+TS	Vigiano, Perry, et al., 1980	gas phase; I^- + H₂SO₄ ->.; B
Δ_rH°	<1312. ± 8.4	kJ/mol	EIAE	Adams, Smith, et al., 1986	gas phase; From H₂SO₄ (AP 0eV); B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1265. ± 23.	kJ/mol	H-TS	Wang, Nicholas, et al., 2000	gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B
Δ_rG°	1265. ± 10.	kJ/mol	IMRB	Viggiano, Henchman, et al., 1992	gas phase; B
Δ_rG°	<1288.7	kJ/mol	IMRB	Vigiano, Perry, et al., 1980	gas phase; I^- + H₂SO₄ ->.; B
Δ_rG°	<1281. ± 9.6	kJ/mol	H-TS	Adams, Smith, et al., 1986	gas phase; From H₂SO₄ (AP 0eV); B

(HO₄S^- • 2) + HO₃S = (HO₄S^- • HO₃S • 2)

By formula: (HO₄S^- • 2H₂O₄S) + HO₃S = (HO₄S^- • HO₃S • 2H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.9	kJ/mol	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Δ_rH°	75.	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated, DG>, Δ_rH>; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated, DG>, Δ_rH>; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
61.9	250.	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
50.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated, DG>, Δ_rH>; M

(HO₄S^- • 2) + = (HO₄S^- • 3)

By formula: (HO₄S^- • 2H₂O₄S) + H₂O₄S = (HO₄S^- • 3H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.0	kJ/mol	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Δ_rH°	82.8	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
61.1	250.	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
59.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

HO₄S^- + = (HO₄S^- • )

By formula: HO₄S^- + HCl = (HO₄S^- • HCl)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.7 ± 4.2	kJ/mol	TDEq	Bohringer, Fahey, et al., 1984	gas phase; Relative to HOH..HSO₄^-, Bohringer, Fahey, et al., 1984; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	63.2	J/mol*K	N/A	Bohringer, Fahey, et al., 1984	gas phase; switching reaction(HSO4-)H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	46.9 ± 4.2	kJ/mol	TDEq	Bohringer, Fahey, et al., 1984	gas phase; Relative to HOH..HSO₄^-, Bohringer, Fahey, et al., 1984; B,M

HO₄S^- + HO₃S = (HO₄S^- • HO₃S)

By formula: HO₄S^- + HO₃S = (HO₄S^- • HO₃S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	93.7	kJ/mol	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated, DG>, Δ_rH>; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated, DG>, Δ_rH>; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
67.8	250.	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated, DG>, Δ_rH>; M

(HO₄S^- • • 3) + = (HO₄S^- • 2 • 3)

By formula: (HO₄S^- • H₂O • 3H₂O₄S) + H₂O = (HO₄S^- • 2H₂O • 3H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.4	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
30.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 2) + = (HO₄S^- • • 2)

By formula: (HO₄S^- • 2H₂O₄S) + HNO₃ = (HO₄S^- • HNO₃ • 2H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.5	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
43.1	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 3) + = (HO₄S^- • • 3)

By formula: (HO₄S^- • 3H₂O₄S) + HNO₃ = (HO₄S^- • HNO₃ • 3H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.7	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
46.4	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • ) + HO₃S = (HO₄S^- • HO₃S • )

By formula: (HO₄S^- • HNO₃) + HO₃S = (HO₄S^- • HO₃S • HNO₃)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90.8	kJ/mol	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
64.9	250.	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 2) + = (HO₄S^- • • 2)

By formula: (HO₄S^- • 2H₂O₄S) + H₂O = (HO₄S^- • H₂O • 2H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.6	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 3) + = (HO₄S^- • • 3)

By formula: (HO₄S^- • 3H₂O₄S) + H₂O = (HO₄S^- • H₂O • 3H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	57.7	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 4) + = (HO₄S^- • • 4)

By formula: (HO₄S^- • 4H₂O₄S) + H₂O = (HO₄S^- • H₂O • 4H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.2	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
34.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • ) + = (HO₄S^- • • )

By formula: (HO₄S^- • HNO₃) + H₂O = (HO₄S^- • H₂O • HNO₃)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.4	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
30.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • ) + = (HO₄S^- • 2)

By formula: (HO₄S^- • H₂O₄S) + H₂O₄S = (HO₄S^- • 2H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	92.0	kJ/mol	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
66.1	250.	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • ) + = (HO₄S^- • 2)

By formula: (HO₄S^- • HNO₃) + HNO₃ = (HO₄S^- • 2HNO₃)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	77.0	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
52.7	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 3) + = (HO₄S^- • 4)

By formula: (HO₄S^- • 3H₂O₄S) + H₂O₄S = (HO₄S^- • 4H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	77.4	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
54.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • 4) + = (HO₄S^- • 5)

By formula: (HO₄S^- • 4H₂O₄S) + H₂O₄S = (HO₄S^- • 5H₂O₄S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	79.1	kJ/mol	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
54.	233.	ATM	Arnold, Viggiano, et al., 1982	gas phase; Entropy change calculated or estimated; M

(HO₄S^- • ) + = (HO₄S^- • 2)

By formula: (HO₄S^- • H₂O) + H₂O = (HO₄S^- • 2H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.0 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.7 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

HO₄S^- + = (HO₄S^- • )

By formula: HO₄S^- + H₂O₂ = (HO₄S^- • H₂O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.5 ± 4.2	kJ/mol	TDEq	Bohringer, Fahey, et al., 1984	gas phase; Relative to HOH..HSO₄^-, Bohringer, Fahey, et al., 1984; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	44.8 ± 4.2	kJ/mol	TDEq	Bohringer, Fahey, et al., 1984	gas phase; Relative to HOH..HSO₄^-, Bohringer, Fahey, et al., 1984; B

HO₄S^- + = (HO₄S^- • )

By formula: HO₄S^- + H₂O = (HO₄S^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24.7 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

HO₄S^- + = (HO₄S^- • )

By formula: HO₄S^- + O₂S = (HO₄S^- • O₂S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	57.3	kJ/mol	HPMS	Keesee and Castleman, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	HPMS	Keesee and Castleman, 1986	gas phase; M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

Data compiled by: John E. Bartmess

Electron affinity of neutral species

EA_neutral (eV)	Method	Reference	Comment
4.75 ± 0.10	LPES	Wang, Nicholas, et al., 2000	Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106
4.49686	D-EA	Vigiano, Perry, et al., 1980	I^- + H₂SO₄ ->.

Protonation reactions

HO₄S^- + =

By formula: HO₄S^- + H⁺ = H₂O₄S

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1295. ± 23.	kJ/mol	D-EA	Wang, Nicholas, et al., 2000	gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106
Δ_rH°	1295. ± 11.	kJ/mol	G+TS	Viggiano, Henchman, et al., 1992	gas phase
Δ_rH°	1325.5	kJ/mol	Latt	House Jr. and Kemper, 1987	gas phase; From lattice energy of NH4HSO4, with new PA(NH3)
Δ_rH°	<1319.6	kJ/mol	G+TS	Vigiano, Perry, et al., 1980	gas phase; I^- + H₂SO₄ ->.
Δ_rH°	<1312. ± 8.4	kJ/mol	EIAE	Adams, Smith, et al., 1986	gas phase; From H₂SO₄ (AP 0eV)
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1265. ± 23.	kJ/mol	H-TS	Wang, Nicholas, et al., 2000	gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106
Δ_rG°	1265. ± 10.	kJ/mol	IMRB	Viggiano, Henchman, et al., 1992	gas phase
Δ_rG°	<1288.7	kJ/mol	IMRB	Vigiano, Perry, et al., 1980	gas phase; I^- + H₂SO₄ ->.
Δ_rG°	<1281. ± 9.6	kJ/mol	H-TS	Adams, Smith, et al., 1986	gas phase; From H₂SO₄ (AP 0eV)

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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]

Arnold and Qiu, 1984
Arnold, F.; Qiu, S., Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances, Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X . [all data]

Arnold, Viggiano, et al., 1982
Arnold, F.; Viggiano, A.A.; Schlager, H., Implications for Trace Gases and Aerosols of Large Negative Ions Clusters in the Stratosphere, Nature, 1982, 297, 5865, 371, https://doi.org/10.1038/297371a0 . [all data]

Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E., Bond energies of the molecules H₂O, SO₂, H₂O₂, and HCl to various atmospheric negative ions, J. Chem. Phys., 1984, 81, 2805. [all data]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References

Symbols used in this document:

EA_neutral	Electron affinity of neutral species
T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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