Hydrogen azide
- Formula: HN3
- Molecular weight: 43.0280
- IUPAC Standard InChI: InChI=1S/HN3/c1-3-2/h1H
- 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, Vibrational and/or electronic energy levels, 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 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry 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: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | NH str | 3336 | B | 3336 M | gas | ||||
| a' | 2 | N≡N str | 2140 | B | 2139.8 VS | gas | ||||
| a' | 3 | NH bend | 1264 | B | 1263.7 M | gas | ||||
| a' | 4 | N-N str | 1151 | B | 1150.5 VS | gas | ||||
| a' | 5 | NNN bend | 534 | B | 534.2 W | gas | ||||
| a | 6 | NNN bend | 607 | B | 607.0 VW | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| B | 1~3 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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