Hydrogen azide

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Reaction thermochemistry data

Go To: Top, 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 as indicated in comments:
B - John E. Bartmess
MS - José A. Martinho Simões

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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

C10H10N6Ti (cr) + 2(Hydrogen chloride • 4.18Water) (solution) = Titanocene dichloride (cr) + 2Hydrogen azide (g)

By formula: C10H10N6Ti (cr) + 2(HCl • 4.18H2O) (solution) = C10H10Cl2Ti (cr) + 2HN3 (g)

Quantity Value Units Method Reference Comment
Δr18.1 ± 1.4kcal/molRSCCalhorda, Gomes da Costa, et al., 1982Please also see Dias, Dias, et al., 1987.; MS

Gas phase ion energetics data

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 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 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)180.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity172.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.74PEBastide and Maier, 1976LLK
10.70PELee, Colton, et al., 1975LLK
10.72 ± 0.02PECradock, Ebsworth, et al., 1972LLK
10.740 ± 0.005PEEland, 1970RDSH
10.72PECvitas and Klasinc, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
NH+14.4 ± 0.2N2EIFranklin, Dibeler, et al., 1958RDSH
N2H+13.8 ± 0.2NEIFranklin, Dibeler, et al., 1958RDSH
N+19.7 ± 0.3?EIFranklin, Dibeler, et al., 1958RDSH
N2+16.0 ± 0.1NHEIFranklin, Dibeler, et al., 1958RDSH
N3+16.0 ± 0.2HEIFranklin, Dibeler, et al., 1958RDSH

De-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; 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

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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]

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

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