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Azide anion


Reaction 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.

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual 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

Azide anion + Water = H2N3O-

By formula: N3- + H2O = H2N3O-

Quantity Value Units Method Reference Comment
Deltar46. ± 75.kJ/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.25±0.03 eV; B

Cyanogen azide = Azide anion + Cyanide anion

By formula: CN4 = N3- + CN-

Quantity Value Units Method Reference Comment
Deltar400. ± 8.kJ/molKinOkabe and Mele, 1969gas phase; Photodissociation; ALS

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:   ?


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

Td = 21620 ± 80 gas Illenberger, Comita, et al., 1985
Continetti, Cyr, et al., 1991

State:   X


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

Sigmau+ 3 Asym. stretch 1986.47 gas DL Polak, Gruebele, et al., 1987
Polak, Gruebele, et al., 1988
3 Asym. stretch 1991.9 Ar IR Zhou and Andrews, 2000
3 Asym. stretch 2002.9 N2 IR Tian, Facelli, et al., 1988
Zhou and Andrews, 2000

Additional references: Jacox, 1994, page 87; Jacox, 2003, page 132

Notes

dPhotodissociation threshold

References

Go To: Top, Reaction thermochemistry 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.

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]

Okabe and Mele, 1969
Okabe, H.; Mele, A., Photodissociation of NCN3 in the vacuum-ultraviolet production of CN B2«SIGMA» and NCN A3II, J. Chem. Phys., 1969, 51, 2100-2106. [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]

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]

Polak, Gruebele, et al., 1987
Polak, M.; Gruebele, M.; Saykally, R.J., Velocity modulation laser spectroscopy of negative ions. The .nu.3 band of azide anion, J. Am. Chem. Soc., 1987, 109, 10, 2884, https://doi.org/10.1021/ja00244a005 . [all data]

Polak, Gruebele, et al., 1988
Polak, M.; Gruebele, M.; Peng, G.S.; Saykally, R.J., Velocity modulation infrared laser spectroscopy of negative ions: The (011)--(001) band of azide (N-3), J. Chem. Phys., 1988, 89, 1, 110, https://doi.org/10.1063/1.455697 . [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]

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]

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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