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Azide radical

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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, 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.

Quantity Value Units Method Reference Comment
Deltafgas99.001kcal/molReviewChase, 1998Data last reviewed in December, 1970
Quantity Value Units Method Reference Comment
gas,1 bar54.128cal/mol*KReviewChase, 1998Data last reviewed in December, 1970

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1100.1100. - 6000.
A 6.05648014.46500
B 15.632100.248143
C -11.14710-0.051476
D 2.9587910.003714
E -0.005520-1.199110
F 96.5737191.70509
G 57.2343967.45999
H 99.0001099.00010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1970 Data last reviewed in December, 1970

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, 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:
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

EA (eV) Method Reference Comment
2.680 ± 0.030LPESYang, Kiran, et al., 2004B
2.762 ± 0.043LPDIllenberger, Comita, et al., 1985B
2.69 ± 0.12LPDJackson, Pellerite, et al., 1981B
>2.53997LPESEngleking and Lineberger, 1976B
3.12 ± 0.30R-AFranklin, Dibeler, et al., 1958From MeN3 and HN3; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.06 ± 0.01PEDyke, Jonathan, et al., 1982LBLHLM
11.27 ± 0.39DERDyke, Jonathan, et al., 1982LBLHLM

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, 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 by: Marilyn E. Jacox

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 36738.750 ± 0.002 gas B-X 260 273 Thrush, 1956
Douglas and Jones, 1965
Beaman, Nelson, et al., 1987
Continetti, Cyr, et al., 1991
Haas and Gericke, 1991
Tx = 36800 N2 B-X Brazier, Bernath, et al., 1988

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 Sym. stretch 1320 T gas LF Beaman, Nelson, et al., 1987
1 Sym. stretch 1287 N2 IR Tian, Facelli, et al., 1988
Piu 2 Bend 457 T gas LF Beaman, Nelson, et al., 1987
2 Bend 472.0 N2 IR Tian, Facelli, et al., 1988
Zhou and Andrews, 2000
Sigmau+ 3 Asym. stretch 1644.68 gas LMR IR Pahnke, Ashworth, et al., 1988
Brazier, Bernath, et al., 1988
3 Asym. stretch 1636.1 Ar IR Andrews, Zhou, et al., 2000
3 Asym. stretch 1657.7 N2 IR Tian, Facelli, et al., 1988
Zhou and Andrews, 2000
Andrews, Zhou, et al., 2000

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

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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.

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(X2«pi») 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 «nu»3 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 «mu»m, 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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References