Azide radical

• Formula: N₃
• Molecular weight: 42.0201
• IUPAC Standard InChI: InChI=1S/N3/c1-3-2 Copy

  
• IUPAC Standard InChIKey: DUAJIKVIRGATIW-UHFFFAOYSA-N Copy
• CAS Registry Number: 12596-60-0
• 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: Nitrogen, mol. (N3)
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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Gas phase 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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

View reactions leading to N₃⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

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:   B

State:   X

Additional references: Jacox, 1994, page 82; Jacox, 2003, page 127

Notes

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Subscription Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

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]

Jackson, Pellerite, et al., 1981
Jackson, R.L.; Pellerite, M.J.; Brauman, J.I., Photodetachment of the azide ion in the gas phase. Electron affinity of the azide radical, J. Am. Chem. Soc., 1981, 103, 1802. [all data]

Engleking and Lineberger, 1976
Engleking, P.C.; Lineberger, W.C., Laser photoelectron spectrometry of NH-: Electron affinity and intercombination energy difference in NH, J. Chem. Phys., 1976, 65, 4323. [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]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.B.H.; Lewis, A.E.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy oftransient species. Part 15. The N₃(X2π) radical, Mol. Phys., 1982, 47, 1231. [all data]

Thrush, 1956
Thrush, B.A., The Detection of Free Radicals in the High Intensity Photolysis of Hydrogen Azide, Proc. Roy. Soc. (London) A235, 1956, 235, 1200, 143, https://doi.org/10.1098/rspa.1956.0071 . [all data]

Douglas and Jones, 1965
Douglas, A.E.; Jones, W.J., THE 2 700 Å BANDS OF THE N, Can. J. Phys., 1965, 43, 12, 2216, https://doi.org/10.1139/p65-216 . [all data]

Beaman, Nelson, et al., 1987
Beaman, R.A.; Nelson, T.; Richards, D.S.; Setser, D.W., Observation of azido radical by laser-induced fluorescence, J. Phys. Chem., 1987, 91, 24, 6090, https://doi.org/10.1021/j100308a006 . [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]

Haas and Gericke, 1991
Haas, T.; Gericke, K.-H., High Resolution Spectroscopy of N3 by Laser Induced Fluorescence, Ber. Bunsenges. Phys. Chem., 1991, 95, 10, 1289, https://doi.org/10.1002/bbpc.19910951021 . [all data]

Brazier, Bernath, et al., 1988
Brazier, C.R.; Bernath, P.F.; Burkholder, J.B.; Howard, C.J., Fourier transform spectroscopy of the ν3 band of the N3 radical, J. Chem. Phys., 1988, 89, 4, 1762, https://doi.org/10.1063/1.455122 . [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]

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]

Pahnke, Ashworth, et al., 1988
Pahnke, R.; Ashworth, S.H.; Brown, J.M., Detection of the N3 free radical by laser magnetic resonance at 6.08 μm, Chem. Phys. Lett., 1988, 147, 2-3, 179, https://doi.org/10.1016/0009-2614(88)85079-6 . [all data]

Andrews, Zhou, et al., 2000
Andrews, L.; Zhou, M.; Chertihin, G.V.; Bare, W.D.; Hannachi, Y., Reactions of Laser-Ablated Aluminum Atoms with Nitrogen Atoms and Molecules. Infrared Spectra and Density Functional Calculations for the AlN, J. Phys. Chem. A, 2000, 104, 8, 1656, https://doi.org/10.1021/jp993517+ . [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

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• Symbols used in this document:
  

  EA	Electron affinity
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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