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Hydrogen azide

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Reaction thermochemistry data

Go To: Top, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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

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

Azide anion + Hydrogen cation = Hydrogen azide

By formula: N3- + H+ = HN3

Quantity Value Units Method Reference Comment
Deltar341.50 ± 0.71kcal/molD-EAYang, Kiran, et al., 2004gas phase; B
Deltar344.0 ± 3.0kcal/molG+TSPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B
Deltar339.0 ± 5.0kcal/molAcidFranklin, Dibeler, et al., 1958gas phase; From MeN3 and HN3; B
Quantity Value Units Method Reference Comment
Deltar335.54 ± 0.81kcal/molH-TSYang, Kiran, et al., 2004gas phase; B
Deltar338.0 ± 2.9kcal/molIMRBPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B

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

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

Quantity Value Units Method Reference Comment
Deltar18.1 ± 1.4kcal/molRSCCalhorda, Gomes da Costa, et al., 1982Please also see Dias, Dias, et al., 1987.; MS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
9.93100.LN/A

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)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
Deltar341.50 ± 0.71kcal/molD-EAYang, Kiran, et al., 2004gas phase; B
Deltar344.0 ± 3.0kcal/molG+TSPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B
Deltar339.0 ± 5.0kcal/molAcidFranklin, Dibeler, et al., 1958gas phase; From MeN3 and HN3; B
Quantity Value Units Method Reference Comment
Deltar335.54 ± 0.81kcal/molH-TSYang, Kiran, et al., 2004gas phase; B
Deltar338.0 ± 2.9kcal/molIMRBPellerite, Jackson, et al., 1981gas phase; Acidity near HCO2H; B

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 60

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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: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 NH str 3336  B 3336 M gas
a' 2 N«equiv»N str 2140  B 2139.8 VS gas
a' 3 NH bend 1264  B 1263.7 M gas
a' 4 N-N str 1151  B 1150.5 VS gas
a' 5 NNN bend 534  B 534.2 W gas
a 6 NNN bend 607  B 607.0 VW gas

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
WWeak
VWVery weak
B1~3 cm-1 uncertainty

References

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References