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Hydrogen azide

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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 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)756.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity723.5kJ/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
Deltar1428.8 ± 3.0kJ/molD-EAYang, Kiran, et al., 2004gas phase; B
Deltar1439. ± 13.kJ/molG+TSPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B
Deltar1418. ± 21.kJ/molAcidFranklin, Dibeler, et al., 1958gas phase; From MeN3 and HN3; B
Quantity Value Units Method Reference Comment
Deltar1403.9 ± 3.4kJ/molH-TSYang, Kiran, et al., 2004gas phase; B
Deltar1414. ± 12.kJ/molIMRBPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B

References

Go To: Top, 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.

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]

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]

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]


Notes

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