HSO4 anion
- Formula: HO4S-
- Molecular weight: 97.071
- Information on this page:
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, References, Notes
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
HO4S- + =
By formula: HO4S- + H+ = H2O4S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrH° | 1295. ± 11. | kJ/mol | G+TS | Viggiano, Henchman, et al., 1992 | gas phase; B |
| ΔrH° | 1325.5 | kJ/mol | Latt | House Jr. and Kemper, 1987 | gas phase; From lattice energy of NH4HSO4, with new PA(NH3); B |
| ΔrH° | <1319.6 | kJ/mol | G+TS | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->.; B |
| ΔrH° | <1312. ± 8.4 | kJ/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV); B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 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 |
| ΔrG° | 1265. ± 10. | kJ/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase; B |
| ΔrG° | <1288.7 | kJ/mol | IMRB | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->.; B |
| ΔrG° | <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 |
|---|---|---|---|---|---|
| ΔrH° | 87.9 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrH° | 75. | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Free energy of reaction
| ΔrG° (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>, ΔrH>; M |
(HO4S- • 2) +
= (HO4S- • 3
)
By formula: (HO4S- • 2H2O4S) + H2O4S = (HO4S- • 3H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 87.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrH° | 82.8 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrS° | 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 |
| ΔrG° | 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 |
By formula: HO4S- + HO3S = (HO4S- • HO3S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 93.7 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 67.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
(HO4S- • • 3
) +
= (HO4S- • 2
• 3
)
By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 66.5 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 70.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 90.8 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 50.6 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 57.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 58.2 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 92.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 77.0 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 77.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 79.1 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrG° | 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 |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrG° | 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 |
|---|---|---|---|---|---|
| ΔrG° | 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 |
|---|---|---|---|---|---|
| ΔrH° | 57.3 | kJ/mol | HPMS | Keesee and Castleman, 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 109. | J/mol*K | HPMS | Keesee and Castleman, 1986 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, References, Notes
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
Electron affinity of neutral species
| EAneutral (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 |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrH° | 1295. ± 11. | kJ/mol | G+TS | Viggiano, Henchman, et al., 1992 | gas phase |
| ΔrH° | 1325.5 | kJ/mol | Latt | House Jr. and Kemper, 1987 | gas phase; From lattice energy of NH4HSO4, with new PA(NH3) |
| ΔrH° | <1319.6 | kJ/mol | G+TS | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->. |
| ΔrH° | <1312. ± 8.4 | kJ/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV) |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 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 |
| ΔrG° | 1265. ± 10. | kJ/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase |
| ΔrG° | <1288.7 | kJ/mol | IMRB | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->. |
| ΔrG° | <1281. ± 9.6 | kJ/mol | H-TS | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV) |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
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
HO4S- + = (HO4S- •
)
By formula: HO4S- + HCl = (HO4S- • HCl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrS° | 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 |
| ΔrG° | 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- • ) +
= (HO4S- • 2
)
By formula: (HO4S- • HNO3) + HNO3 = (HO4S- • 2HNO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 77.0 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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- • ) + HO3S = (HO4S- • HO3S •
)
By formula: (HO4S- • HNO3) + HO3S = (HO4S- • HO3S • HNO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 90.8 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 64.9 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
(HO4S- • ) +
= (HO4S- •
•
)
By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 30. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: HO4S- + HO3S = (HO4S- • HO3S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 93.7 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 67.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
HO4S- + = (HO4S- •
)
By formula: HO4S- + H2O = (HO4S- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 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- • 2
)
By formula: (HO4S- • H2O) + H2O = (HO4S- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrG° | 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- • • 3
) +
= (HO4S- • 2
• 3
)
By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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- •
)
By formula: HO4S- + H2O2 = (HO4S- • H2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrG° | 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- • 2) +
= (HO4S- •
• 2
)
By formula: (HO4S- • 2H2O4S) + HNO3 = (HO4S- • HNO3 • 2H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 66.5 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 70.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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- • 2) + HO3S = (HO4S- • HO3S • 2
)
By formula: (HO4S- • 2H2O4S) + HO3S = (HO4S- • HO3S • 2H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 87.9 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrH° | 75. | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Free energy of reaction
| ΔrG° (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>, ΔrH>; M |
(HO4S- • 2) +
= (HO4S- •
• 2
)
By formula: (HO4S- • 2H2O4S) + H2O = (HO4S- • H2O • 2H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 50.6 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 57.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 58.2 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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- • 2
)
By formula: (HO4S- • H2O4S) + H2O4S = (HO4S- • 2H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 92.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 66.1 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
(HO4S- • 2) +
= (HO4S- • 3
)
By formula: (HO4S- • 2H2O4S) + H2O4S = (HO4S- • 3H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 87.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrH° | 82.8 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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- • 3) +
= (HO4S- • 4
)
By formula: (HO4S- • 3H2O4S) + H2O4S = (HO4S- • 4H2O4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 77.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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 |
|---|---|---|---|---|---|
| ΔrH° | 79.1 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
| ΔrG° (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- •
)
By formula: HO4S- + O2S = (HO4S- • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 57.3 | kJ/mol | HPMS | Keesee and Castleman, 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 109. | J/mol*K | HPMS | Keesee and Castleman, 1986 | gas phase; M |
References
Go To: Top, Reaction thermochemistry data, 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.
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, Ion clustering data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species T Temperature 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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