Azide radical
- Formula: N3
- Molecular weight: 42.0201
- IUPAC Standard InChI: InChI=1S/N3/c1-3-2
- IUPAC Standard InChIKey: DUAJIKVIRGATIW-UHFFFAOYSA-N
- 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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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 99.001 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.128 | cal/mol*K | Review | Chase, 1998 | Data 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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| Temperature (K) | 298. to 1100. | 1100. to 6000. |
|---|---|---|
| A | 6.056480 | 14.46500 |
| B | 15.63210 | 0.248143 |
| C | -11.14710 | -0.051476 |
| D | 2.958791 | 0.003714 |
| E | -0.005520 | -1.199110 |
| F | 96.57371 | 91.70509 |
| G | 57.23439 | 67.45999 |
| H | 99.00010 | 99.00010 |
| Reference | Chase, 1998 | Chase, 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, 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 ± 0.030 | LPES | Yang, Kiran, et al., 2004 | B |
| 2.762 ± 0.043 | LPD | Illenberger, Comita, et al., 1985 | B |
| 2.69 ± 0.12 | LPD | Jackson, Pellerite, et al., 1981 | B |
| >2.53997 | LPES | Engleking and Lineberger, 1976 | B |
| 3.12 ± 0.30 | R-A | Franklin, Dibeler, et al., 1958 | From MeN3 and HN3; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.06 ± 0.01 | PE | Dyke, Jonathan, et al., 1982 | LBLHLM |
| 11.27 ± 0.39 | DER | Dyke, Jonathan, et al., 1982 | LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, 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.
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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- 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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