Nitric acid
- Formula: HNO3
- Molecular weight: 63.0128
- IUPAC Standard InChIKey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
- CAS Registry Number: 7697-37-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase ion energetics data
Go To: Top, 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 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)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 751.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 731.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.57 ± 0.15 | NBIE | Mathur, Rothe, et al., 1976 | B |
0.56 ± 0.17 | Endo | Paulson and Dale, 1982 | B |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
670.3 | Bernardi, Cacace, et al., 1998 | PA at NO+ binding site, estimated from correlation of PAs with NO+ binding energies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.95 ± 0.01 | PE | Lloyd, Roberts, et al., 1975 | LLK |
11.96 | PE | Frost, Lee, et al., 1975 | LLK |
11.03 ± 0.01 | PI | Nicholson, 1965 | RDSH |
12.2 | PE | Ames and Turner, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
OH+ | 16.6 | NO2 | PI | Jochims, Denzer, et al., 1992 | LL |
NO+ | 13.07 | ? | PI | Jochims, Denzer, et al., 1992 | LL |
NO2+ | 11.90 | OH | PI | Jochims, Denzer, et al., 1992 | LL |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1357.7 ± 0.84 | kJ/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
ΔrH° | 1380. ± 20. | kJ/mol | NBAE | Mathur, Rothe, et al., 1976 | gas phase; From HNO3; B |
ΔrH° | 1377. ± 24. | kJ/mol | Endo | Refaey and Franklin, 1976 | gas phase; I- + HNO3 ->.; B |
ΔrH° | 1357.7 ± 2.1 | kJ/mol | TDEq | Ferguson, Dunkin, et al., 1972 | gas phase; B |
ΔrH° | 1490.8 | kJ/mol | Endo | Berkowitz, Chupka, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1329.7 ± 0.84 | kJ/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
Ion clustering data
Go To: Top, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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
By formula: Br- + HNO3 = (Br- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 83.7 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.4 | J/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
56.1 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
By formula: (Br- • HNO3) + HNO3 = (Br- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.7 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.4 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
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 |
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 |
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 |
By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.9 ± 8.4 | kJ/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 40. ± 12. | kJ/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
By formula: NO3- + HNO3 = (NO3- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 100. | J/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: (NO3- • HNO3) + HNO3 = (NO3- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.6 ± 4.2 | kJ/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 66.9 ± 3.3 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 77.0 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 74.1 | kJ/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrH° | 83.7 | 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, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 92.5 | J/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 96.7 | J/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 49.0 ± 9.2 | kJ/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrG° | 37.7 ± 1.3 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
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 |
57.7 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 2HNO3) + HNO3 = (NO3- • 3HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67.4 ± 4.2 | kJ/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 58.2 ± 5.9 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 66.9 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 66.9 | kJ/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; 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 |
ΔrS° | 121. | J/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 112. | J/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 31. ± 9.2 | kJ/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
ΔrG° | 24.7 ± 1.7 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 29. | kJ/mol | FA | Fehsenfeld, Howard, et al., 1975 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
42.7 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 3HNO3) + HNO3 = (NO3- • 4HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. ± 5.4 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.3 | J/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.4 ± 1.7 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 29. ± 4.2 | kJ/mol | IMRE | Fehsenfeld, Howard, et al., 1975 | gas phase; B |
By formula: (NO3- • 4HNO3) + HNO3 = (NO3- • 5HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 5.0 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.8 | J/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.9 ± 4.2 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: (NO3- • 5HNO3) + HNO3 = (NO3- • 6HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 ± 3.8 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31. | J/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.0 ± 2.9 | kJ/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: Na+ + HNO3 = (Na+ • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 86.2 | kJ/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.9 | J/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
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]
Mathur, Rothe, et al., 1976
Mathur, B.P.; Rothe, E.W.; Tang, S.Y.; Mahajan, K.; Reck, G.P.,
Negative gaseous ions from nitric acid,
J. Chem. Phys., 1976, 64, 1247. [all data]
Paulson and Dale, 1982
Paulson, J.F.; Dale, J.,
Reactions of OH-.H2O with NO2,
J. Chem. Phys., 1982, 77, 4006. [all data]
Bernardi, Cacace, et al., 1998
Bernardi, F.; Cacace, F.; de Petris, G.; Pepi, F.; Rossi, I.,
Gaseous [N2O5]H+, [N2O4]H+, and related species from the addition of NO2+ and NO+ ions to nitric acid and its derivatives,
J. Phys. Chem. A, 1998, 102, 1987. [all data]
Lloyd, Roberts, et al., 1975
Lloyd, D.R.; Roberts, P.J.; Hillier, I.H.,
Electronic structure of nitric acid studied by photoelectron spectroscopy and molecular orbital calculation,
J. Chem. Soc. Faraday Trans. 2, 1975, 71, 496. [all data]
Frost, Lee, et al., 1975
Frost, D.C.; Lee, S.T.; McDowell, C.A.; Westwood, N.P.C.,
Photoelectron spectroscopic studies of some nitrosyl and nitryl halides nitric acid,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 331. [all data]
Nicholson, 1965
Nicholson, A.J.C.,
Photoionization-efficiency curves. II. False and genuine structure,
J. Chem. Phys., 1965, 43, 1171. [all data]
Ames and Turner, 1976
Ames, D.L.; Turner, D.W.,
Photoelectron spectroscopic studies of dinitrogen tetroxide and dinitrogen pentoxide,
Proc. R. Soc. London A:, 1976, 348, 175. [all data]
Jochims, Denzer, et al., 1992
Jochims, H.-W.; Denzer, W.; Baumgartel, H.; Losking, O.; Willner, H.,
Photochemical decay reactions of N2O5, HNO3, ClNO3 and BrNO3 in the energy range 10-20 eV,
Ber. Bunsen-Ges. Phys. Chem., 1992, 96, 573. [all data]
Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J.,
The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
Int. J. Chem. Kinet., 1977, 9, 17. [all data]
Refaey and Franklin, 1976
Refaey, K.M.A.; Franklin, J.L.,
Endoergic ion-molecule-collision processes of negative ions. V. Collision of I- on HNO3. The electron affinity of NO3,
J. Chem. Phys., 1976, 64, 4810. [all data]
Ferguson, Dunkin, et al., 1972
Ferguson, E.E.; Dunkin, D.B.; Fehsenfeld, F.C.,
Reactions of NO2- and NO3- with HCl and HBr,
J. Chem. Phys., 1972, 57, 1459. [all data]
Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D.,
Electron Affinities of O2, O3, NO, NO2, and NO3 by Endothermic Charge Transfer,
J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488
. [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]
Wlodek, Luczynski, et al., 1980
Wlodek, S.; Luczynski, Z.; Wincel, H.,
Stabilities of gas-phase NO3-.(HNO3)n,n ≤ 6, clusters,
Int. J. Mass Spectrom. Ion Phys., 1980, 35, 39. [all data]
Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr.,
The properties of clusters in the gas phase. IV. Complexes of H2O and HNOx clustering on NOx-,
J. Chem. Phys., 1980, 72, 1089. [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]
Fehsenfeld, Howard, et al., 1975
Fehsenfeld, F.C.; Howard, C.J.; Schmeltkopf, A.L.,
Gas Phase Ion Chemistry of HNO3,
J. Chem. Phys., 1975, 63, 7, 2835, https://doi.org/10.1063/1.431722
. [all data]
Perry, Rowe, et al., 1980
Perry, R.A.; Rowe, B.R.; Viggiano, A.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C.,
Laboratory Measurements of Stratospheric Sodium Ion Measurements,
Geophys. Res. Lett., 1980, 7, 9, 693, https://doi.org/10.1029/GL007i009p00693
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity 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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