Nitrate Radical
- Formula: NO3
- Molecular weight: 62.0049
- IUPAC Standard InChI: InChI=1S/NO3/c2-1(3)4
- IUPAC Standard InChIKey: YPJKMVATUPSWOH-UHFFFAOYSA-N
- CAS Registry Number: 12033-49-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Nitrogen trioxide
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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 compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.937 ± 0.014 | LPES | Weaver, Arnold, et al., 1991 | B |
| 3.937 ± 0.019 | R-A | Davidson, Fehsenfeld, et al., 1977 | Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
| 3.70 ± 0.20 | IMRE | McFarland, Dunkin, et al., 1972 | NO3- + NO <=> NO2- + NO2; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.57 ± 0.03 | PI | Monks, Stief, et al., 1994 | LL |
Anion 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.
Weaver, Arnold, et al., 1991
Weaver, A.; Arnold, D.W.; Bradforth, S.E.; Neumark, D.M.,
Estimation of the 2A'2 and 2E States of NO3 by Ultraviolet Photoelectron Spectroscopy of NO3-,
J. Chem. Phys., 1991, 94, 3, 1740, https://doi.org/10.1063/1.459947
. [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]
McFarland, Dunkin, et al., 1972
McFarland, M.; Dunkin, D.B.; Fehsenfeld, F.C.; Schmeltekopf, A.L.; Ferguson, E.E.,
Collisional detachment studies of NO-,
J. Chem. Phys., 1972, 56, 2358. [all data]
Monks, Stief, et al., 1994
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Zhang, Z.; Klemm, R.B.,
A discharge flow-photoionization mass spectrometric study of the NO3(2A2') radical: Photoionization spectrum, adiabatic ionization energy, and ground state symmetry,
J. Phys. Chem., 1994, 98, 10017. [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]
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:
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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