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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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
MS - José A. Martinho Simões
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual 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 |
C10H10N6Ti (cr) + 2( • 4.18) (solution) = (cr) + 2 (g)
By formula: C10H10N6Ti (cr) + 2(HCl • 4.18H2O) (solution) = C10H10Cl2Ti (cr) + 2HN3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.7 ± 5.8 | kJ/mol | RSC | Calhorda, Gomes da Costa, et al., 1982 | Please also see Dias, Dias, et al., 1987.; MS |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 |
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 60 |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Calhorda, Gomes da Costa, et al., 1982
Calhorda, M.J.; Gomes da Costa, R.; Dias, A.R.; Martinho Simões, J.A.,
J. Chem. Soc., Dalton Trans., 1982, 2327.. [all data]
Dias, Dias, et al., 1987
Dias, A.R.; Dias, P.B.; Diogo, H.P.; Galvão, A.M.; Minas da Piedade, M.E.; Martinho Simões, J.A.,
Organometallics, 1987, 6, 1427. [all data]
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]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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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