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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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 |
Gas Chromatography
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1213. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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]
Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.