Azide radical
- Formula: N3
- Molecular weight: 42.0201
- 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, 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 |
---|---|---|---|---|---|
ΔfH°gas | 414.22 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 226.47 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1100. | 1100. to 6000. |
---|---|---|
A | 25.34031 | 60.52156 |
B | 65.40471 | 1.038231 |
C | -46.63947 | -0.215374 |
D | 12.37958 | 0.015538 |
E | -0.023098 | -5.017076 |
F | 404.0644 | 383.6941 |
G | 239.4687 | 282.2526 |
H | 414.2164 | 414.2164 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1970 | Data last reviewed in December, 1970 |
Vibrational and/or electronic energy levels
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 by: Marilyn E. Jacox
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | Sym. stretch | 1320 | T | gas | LF | Beaman, Nelson, et al., 1987 |
1 | Sym. stretch | 1287 | N2 | IR | Tian, Facelli, et al., 1988 | ||
Πu | 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 | ||
Σu+ | 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
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy 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, 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]
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
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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