Azide anion


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

Azide anion + Hydrogen cation = Hydrogen azide

By formula: N3- + H+ = HN3

Quantity Value Units Method Reference Comment
Δr341.50 ± 0.71kcal/molD-EAYang, Kiran, et al., 2004gas phase; B
Δr344.0 ± 3.0kcal/molG+TSPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B
Δr339.0 ± 5.0kcal/molAcidFranklin, Dibeler, et al., 1958gas phase; From MeN3 and HN3; B
Quantity Value Units Method Reference Comment
Δr335.54 ± 0.81kcal/molH-TSYang, Kiran, et al., 2004gas phase; B
Δr338.0 ± 2.9kcal/molIMRBPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B

Azide anion + Water = H2N3O-

By formula: N3- + H2O = H2N3O-

Quantity Value Units Method Reference Comment
Δr11. ± 18.kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.25±0.03 eV; B

Cyanogen azide = Azide anion + Cyanide anion

By formula: CN4 = N3- + CN-

Quantity Value Units Method Reference Comment
Δr96. ± 2.kcal/molKinOkabe and Mele, 1969gas 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

Azide anion + Hydrogen cation = Hydrogen azide

By formula: N3- + H+ = HN3

Quantity Value Units Method Reference Comment
Δr341.50 ± 0.71kcal/molD-EAYang, Kiran, et al., 2004gas phase
Δr344.0 ± 3.0kcal/molG+TSPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H
Δr339.0 ± 5.0kcal/molAcidFranklin, Dibeler, et al., 1958gas phase; From MeN3 and HN3
Quantity Value Units Method Reference Comment
Δr335.54 ± 0.81kcal/molH-TSYang, Kiran, et al., 2004gas phase
Δr338.0 ± 2.9kcal/molIMRBPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H

References

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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

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