Azide anion
- Formula: N3-
- Molecular weight: 42.0206
- IUPAC Standard InChI: InChI=1S/N3/c1-3-2/q-1
- IUPAC Standard InChIKey: IVRMZWNICZWHMI-UHFFFAOYSA-N
- CAS Registry Number: 14343-69-2
- 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: Azide, negative ion; Azide; N3
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Reaction thermochemistry data
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 341.50 ± 0.71 | kcal/mol | D-EA | Yang, Kiran, et al., 2004 | gas phase; B |
| ΔrH° | 344.0 ± 3.0 | kcal/mol | G+TS | Pellerite, Jackson, et al., 1981 | gas phase; Acidity near HCO2H; B |
| ΔrH° | 339.0 ± 5.0 | kcal/mol | Acid | Franklin, Dibeler, et al., 1958 | gas phase; From MeN3 and HN3; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 335.54 ± 0.81 | kcal/mol | H-TS | Yang, Kiran, et al., 2004 | gas phase; B |
| ΔrG° | 338.0 ± 2.9 | kcal/mol | IMRB | Pellerite, Jackson, et al., 1981 | gas phase; Acidity near HCO2H; B |
+
= H2N3O-
By formula: N3- + H2O = H2N3O-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11. ± 18. | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.25±0.03 eV; B |
=
+
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 96. ± 2. | kcal/mol | Kin | Okabe and Mele, 1969 | gas phase; Photodissociation; ALS |
References
Go To: Top, Reaction thermochemistry data, 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]
Okabe and Mele, 1969
Okabe, H.; Mele, A.,
Photodissociation of NCN3 in the vacuum-ultraviolet production of CN B2Σ and NCN A3II,
J. Chem. Phys., 1969, 51, 2100-2106. [all data]
Notes
Go To: Top, Reaction thermochemistry data, 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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