Hydrogen azide
- Formula: HN3
- Molecular weight: 43.0280
- IUPAC Standard InChIKey: JUINSXZKUKVTMD-UHFFFAOYSA-N
- CAS Registry Number: 7782-79-8
- 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: Hydrazoic acid; Azoimide; Diazoimide; Hydronitric acid; Triazoic acid; HN3; Stickstoffwasserstoffsaeure
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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
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.72 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 756.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 723.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.74 | PE | Bastide and Maier, 1976 | LLK |
10.70 | PE | Lee, Colton, et al., 1975 | LLK |
10.72 ± 0.02 | PE | Cradock, Ebsworth, et al., 1972 | LLK |
10.740 ± 0.005 | PE | Eland, 1970 | RDSH |
10.72 | PE | Cvitas and Klasinc, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
NH+ | 14.4 ± 0.2 | N2 | EI | Franklin, Dibeler, et al., 1958 | RDSH |
N2H+ | 13.8 ± 0.2 | N | EI | Franklin, Dibeler, et al., 1958 | RDSH |
N+ | 19.7 ± 0.3 | ? | EI | Franklin, Dibeler, et al., 1958 | RDSH |
N2+ | 16.0 ± 0.1 | NH | EI | Franklin, Dibeler, et al., 1958 | RDSH |
N3+ | 16.0 ± 0.2 | H | EI | Franklin, Dibeler, et al., 1958 | RDSH |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1428.8 ± 3.0 | kJ/mol | D-EA | Yang, Kiran, et al., 2004 | gas phase; B |
ΔrH° | 1439. ± 13. | kJ/mol | G+TS | Pellerite, Jackson, et al., 1981 | gas phase; Acidity near HCO2H; B |
ΔrH° | 1418. ± 21. | kJ/mol | Acid | Franklin, Dibeler, et al., 1958 | gas phase; From MeN3 and HN3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1403.9 ± 3.4 | kJ/mol | H-TS | Yang, Kiran, et al., 2004 | gas phase; B |
ΔrG° | 1414. ± 12. | kJ/mol | IMRB | Pellerite, Jackson, et al., 1981 | gas phase; Acidity near HCO2H; 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]
Bastide and Maier, 1976
Bastide, J.; Maier, J.P.,
Electronic states of the radical cations of the 1,3-dipoles: HCNO, CH2N2, and N3H, studied by photoelectron spectroscopy,
Chem. Phys., 1976, 12, 177. [all data]
Lee, Colton, et al., 1975
Lee, T.H.; Colton, R.J.; White, M.G.; Rabalais, J.W.,
Electronic structure of hydrazoic acid and the azide ion from x-ray ultraviolet electron spectroscopy,
J. Am. Chem. Soc., 1975, 97, 4845. [all data]
Cradock, Ebsworth, et al., 1972
Cradock, S.; Ebsworth, E.A.V.; Murdoch, J.D.,
Photoelectron spectra of some Group 4 pseudohalides and related compounds,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 86. [all data]
Eland, 1970
Eland, J.H.D.,
The photoelectron spectra of isocyanic acid and related compounds,
Phil. Trans. Roy. Soc. (London), 1970, A268, 87. [all data]
Cvitas and Klasinc, 1976
Cvitas, T.; Klasinc, L.,
High resolution photoelectron spectrum of hydrazoic acid,
J. Chem. Soc. Faraday Trans. 2, 1976, 72, 1240. [all data]
Franklin, Dibeler, et al., 1958
Franklin, J.L.; Dibeler, V.H.; Reese, R.M.; Krauss, M.,
Ionization and dissociation of hydrazoic acid and methyl azide by electron impact,
J. Am. Chem. Soc., 1958, 80, 298. [all data]
Yang, Kiran, et al., 2004
Yang, X.; Kiran, B.; Wang, X.B.; Wang, L.S.; Mucha, M.; Jungwirth, P.,
Solvation of the azide anion (N-3(-)) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations, and molecular dynamic,
J. Phys. Chem. A, 2004, 108, 39, 7820-7826, https://doi.org/10.1021/jp0496396
. [all data]
Pellerite, Jackson, et al., 1981
Pellerite, M.J.; Jackson, R.L.; Brauman, J.I.,
Proton affinity of the gaseous azide Ion. The N-H bond dissociation enegry in HN3,
J. Phys. Chem., 1981, 85, 1624. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy 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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