Nitric acid
- Formula: HNO3
- Molecular weight: 63.0128
- IUPAC Standard InChIKey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
- CAS Registry Number: 7697-37-2
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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) | 179.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 174.8 | kcal/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 (kcal/mol) | Reference | Comment |
---|---|---|
160.2 | 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° | 324.50 ± 0.20 | kcal/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° | 329.9 ± 4.8 | kcal/mol | NBAE | Mathur, Rothe, et al., 1976 | gas phase; From HNO3; B |
ΔrH° | 329.1 ± 5.8 | kcal/mol | Endo | Refaey and Franklin, 1976 | gas phase; I- + HNO3 ->.; B |
ΔrH° | 324.50 ± 0.50 | kcal/mol | TDEq | Ferguson, Dunkin, et al., 1972 | gas phase; B |
ΔrH° | 356.30 | kcal/mol | Endo | Berkowitz, Chupka, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 317.80 ± 0.20 | kcal/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 |
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]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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