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
Go To: Top, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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° | 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 |
Gas phase ion energetics 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 by: John E. Bartmess
Protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 341.50 ± 0.71 | kcal/mol | D-EA | Yang, Kiran, et al., 2004 | gas phase |
| ΔrH° | 344.0 ± 3.0 | kcal/mol | G+TS | Pellerite, Jackson, et al., 1981 | gas phase; Acidity near HCO2H |
| ΔrH° | 339.0 ± 5.0 | kcal/mol | Acid | Franklin, Dibeler, et al., 1958 | gas phase; From MeN3 and HN3 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 335.54 ± 0.81 | kcal/mol | H-TS | Yang, Kiran, et al., 2004 | gas phase |
| ΔrG° | 338.0 ± 2.9 | kcal/mol | IMRB | Pellerite, Jackson, et al., 1981 | gas phase; Acidity near HCO2H |
Ion clustering 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 by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= 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 |
Vibrational and/or electronic energy levels
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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 by: Marilyn E. Jacox
State: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Td = 21620 ± 80 | gas | Illenberger, Comita, et al., 1985 | |||||
| Continetti, Cyr, et al., 1991 | |||||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σu+ | 3 | Asym. stretch | 1986.47 | gas | DL | Polak, Gruebele, et al., 1987 Polak, Gruebele, et al., 1988 | |
| 3 | Asym. stretch | 1991.9 | Ar | IR | Zhou and Andrews, 2000 | ||
| 3 | Asym. stretch | 2002.9 | N2 | IR | Tian, Facelli, et al., 1988 Zhou and Andrews, 2000 | ||
Additional references: Jacox, 1994, page 87; Jacox, 2003, page 132
Notes
| d | Photodissociation threshold |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, 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]
Illenberger, Comita, et al., 1985
Illenberger, E.; Comita, P.; Brauman, J.I.; Fenzlaff, H.-P.; Heni, M.; Heinrich, N.; Koch, W.; Frenking, G.,
Experimental and theoretical investigation of the azide anion (N3-) in the gas phase,
Ber. Bunsen-Ges. Phys. Chem., 1985, 89, 1026. [all data]
Continetti, Cyr, et al., 1991
Continetti, R.E.; Cyr, D.R.; Metz, R.B.; Neumark, D.M.,
Fast beam studies of N3 photodissociation,
Chem. Phys. Lett., 1991, 182, 5, 406, https://doi.org/10.1016/0009-2614(91)90098-T
. [all data]
Polak, Gruebele, et al., 1987
Polak, M.; Gruebele, M.; Saykally, R.J.,
Velocity modulation laser spectroscopy of negative ions. The .nu.3 band of azide anion,
J. Am. Chem. Soc., 1987, 109, 10, 2884, https://doi.org/10.1021/ja00244a005
. [all data]
Polak, Gruebele, et al., 1988
Polak, M.; Gruebele, M.; Peng, G.S.; Saykally, R.J.,
Velocity modulation infrared laser spectroscopy of negative ions: The (011)--(001) band of azide (N-3),
J. Chem. Phys., 1988, 89, 1, 110, https://doi.org/10.1063/1.455697
. [all data]
Zhou and Andrews, 2000
Zhou, M.; Andrews, L.,
Reactions of Laser-Ablated Ga, In, and Tl Atoms with Nitrogen Atoms and Molecules. Infrared Spectra and Density Functional Calculations of GaN, NGaN, NInN, and the M,
J. Phys. Chem. A, 2000, 104, 8, 1648, https://doi.org/10.1021/jp993429p
. [all data]
Tian, Facelli, et al., 1988
Tian, R.; Facelli, J.C.; Michl, J.,
Vibrational and electronic spectra of matrix-isolated nitrogen trimer radical and azide,
J. Phys. Chem., 1988, 92, 14, 4073, https://doi.org/10.1021/j100325a018
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, 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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