CNN Radical
- Formula: CN2
- Molecular weight: 40.0241
- IUPAC Standard InChIKey: QDZARNQKIZUXDK-UHFFFAOYSA-N
- CAS Registry Number: 2468-81-7
- Chemical structure:
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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 | 584.51 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 231.71 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
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 1500. | 1500. to 6000. |
---|---|---|
A | 37.88540 | 59.43920 |
B | 25.74190 | 1.347181 |
C | -11.16580 | -0.234157 |
D | 1.860271 | 0.014361 |
E | -0.208487 | -7.891410 |
F | 571.4600 | 551.4970 |
G | 269.1930 | 285.1220 |
H | 584.5050 | 584.5050 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1966 | Data last reviewed in June, 1966 |
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: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 51070 | T | N2 | Jacox, 1978 | ||||
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 48540 ± 50 | Ar | C-X | 206 | 206 | Jacox, 1978 | ||
To = 49100 ± 50 | N2 | C-X | 204 | 204 | Jacox, 1978 | ||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 40985 | U | gas | Bise, Hoops, et al., 2000 | ||||
To = 39950 | U | Ar | B-X | 210 | 251 | Jacox, 1978 | |
To = 39850 | U | N2 | B-X | 210 | 251 | Jacox, 1978 | |
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | Sym. | stretch 1000 T gas PF 2000BIS/HOO4179 | ||||
1 | Sym. | stretch 990 | 40 " Ar AB 1978JAC26 | ||||
1 | Sym. | stretch 990 | 40 " N2 AB 1978JAC26 | ||||
3 | Asym. | stretch 1455 " gas PF 2000BIS/HOO4179 | |||||
3 | Asym. | stretch 1450 | 40 " Ar AB 1978JAC26 | ||||
3 | Asym. | stretch 1450 | 40 " N2 AB 1978JAC26 | ||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 23850 | T | gas | A-X | 395 | 420 | Braun, Bass, et al., 1969 | |
Curtis, Levick, et al., 1988 | |||||||
Bise, Hoops, et al., 2000 | |||||||
To = 23750 | Ne | A-X | 397 | 420 | Weltner and McLeod, 1966 | ||
To = 23830 | Ne | A-X | 397 | 420 | Weltner and McLeod, 1966 | ||
To = 23597 | Ar | A-X | 401 | 424 | Milligan, Jacox, et al., 1965 | ||
Milligan and Jacox, 1966 | |||||||
Bondybey and English, 1977 | |||||||
Wilkerson and Guillory, 1977 | |||||||
To = 23865 | N2 | A-X | 396 | 419 | Milligan, Jacox, et al., 1965 | ||
Milligan and Jacox, 1966 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | Sym. | stretch 1386 " gas PF 2000BIS/HOO4179 | ||||
1 | Sym. | stretch 1325 | 10 " Ne AB 1966WEL/MCL3096 | ||||
1 | Sym. | stretch 1322 | 2 " Ar AB | LF 1965MIL/JAC3149 1966MIL/JAC2850 1977 | |||
1 | Sym. | stretch 1335 | 10 " N2 AB 1965MIL/JAC3149 1966MIL/JAC2850 | ||||
Π | 2 | Bend | 525 ± 2 | Ar | LF | Bondybey and English, 1977 | |
Σ+ | 3 | Asym.stretch 1807 | ± | ||||
State: b
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 10690 ± 120 | gas | Clifford, Wenthold, et al., 1998 | |||||
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 6830 ± 120 | gas | Clifford, Wenthold, et al., 1998 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 3 | Asym. | stretch 1600 | 120 " gas PE 1998CLI/WEN7100 | |||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | Sym. | stretch 1230 | 120 " gas PE 1998CLI/WEN7100 | |||
1 | Sym. | stretch 1235 " Ne EM 1966WEL/MCL3096 | |||||
1 | Sym. | stretch 1235 " Ar LF 1977BON/ENG664 1992WUR/THO119 | |||||
1 | Sym. | stretch 1241 N | |||||
1 | Sym. | stretch 1252 " N2 IR 1966MIL/JAC2850 1966MOL/THO2684 1971DEK/WEL7106 | |||||
Π | 2 | Bend | 390 ± 120 | gas | PE | Clifford, Wenthold, et al., 1998 | |
2 | Bend | 394 | Ar | LF | Bondybey and English, 1977 | ||
2 | Bend | 393 | Ar | IR | Milligan and Jacox, 1966 | ||
2 | Bend | 394 | N2 | IR | Moll and Thompson, 1966 DeKock and Weltner, 1971 | ||
Σ+ | 3 | Asym. | stretch 1425 | 120 " gas PE 1998CLI/WEN7100 | |||
3 | Asym.stretch 1419 " Ar LF 1992WUR/THO119 | ||||||
Additional references: Jacox, 1994, page 71; Jacox, 2003, page 114; Wasserman, Barash, et al., 1965
Notes
U | Upper bound |
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]
Jacox, 1978
Jacox, M.E.,
Matrix isolation study of the reaction of carbon atoms with molecular nitrogen,
J. Mol. Spectrosc., 1978, 72, 1, 26, https://doi.org/10.1016/0022-2852(78)90040-1
. [all data]
Bise, Hoops, et al., 2000
Bise, R.T.; Hoops, A.A.; Choi, H.; Neumark, D.M.,
Photodissociation dynamics of the CNN free radical,
J. Chem. Phys., 2000, 113, 10, 4179, https://doi.org/10.1063/1.1288267
. [all data]
Braun, Bass, et al., 1969
Braun, W.; Bass, A.M.; Davis, D.D.; Simmons, J.D.,
Flash Photolysis of Carbon Suboxide: Absolute Rate Constants for Reactions of C(FormulaP) and C(Formula) with HFormula, NFormula, CO, NO, OFormula and CHFormula,
Proc. Roy. Soc. (London) A312, 1969, 312, 1510, 417, https://doi.org/10.1098/rspa.1969.0168
. [all data]
Curtis, Levick, et al., 1988
Curtis, M.C.; Levick, A.P.; Sarre, P.J.,
Laser-Induced-Fluorescence Spectrum of the CNN Molecule,
Laser Chem., 1988, 9, 4-6, 359, https://doi.org/10.1155/LC.9.359
. [all data]
Weltner and McLeod, 1966
Weltner, W., Jr.; McLeod, D., Jr.,
Spectroscopy of Carbon Vapor Condensed in Rare-Gas Matrices at 4°K. III,
J. Chem. Phys., 1966, 45, 8, 3096, https://doi.org/10.1063/1.1728066
. [all data]
Milligan, Jacox, et al., 1965
Milligan, D.E.; Jacox, M.E.; Bass, A.M.,
Matrix Isolation Study of the Photolysis of Cyanogen Azide. The Infrared and Ultraviolet Spectra of the Free Radical NCN,
J. Chem. Phys., 1965, 43, 9, 3149, https://doi.org/10.1063/1.1697289
. [all data]
Milligan and Jacox, 1966
Milligan, D.E.; Jacox, M.E.,
Matrix-Isolation Study of the Infrared and Ultraviolet Spectra of the Free Radical CNN,
J. Chem. Phys., 1966, 44, 8, 2850, https://doi.org/10.1063/1.1727144
. [all data]
Bondybey and English, 1977
Bondybey, V.E.; English, J.H.,
Spectroscopy and vibrational relaxation of CNN in rare gas solids,
J. Chem. Phys., 1977, 67, 2, 664, https://doi.org/10.1063/1.434869
. [all data]
Wilkerson and Guillory, 1977
Wilkerson, J.L.; Guillory, W.A.,
Laser-induced temporal and wavelength resolved spectroscopy of the 3Π-3Σ- system of matrix-isolated CNN,
J. Mol. Spectrosc., 1977, 66, 2, 188, https://doi.org/10.1016/0022-2852(77)90209-0
. [all data]
Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Lineberger, W.C.; Peterssom, G.A.; Broaddus, K.M.; Kass, S.R.; Kato, S.,
Properties of Diazocarbene [CNN] and the diazomethyl Radical [HCNN] via Ion Chemistry and Spectroscopy,
J. Phys. Chem. A, 1998, 102, 36, 7100, https://doi.org/10.1021/jp9802735
. [all data]
Moll and Thompson, 1966
Moll, N.G.; Thompson, W.E.,
Reactions of Carbon Atoms with N2, H2, and D2 at 4.2°K,
J. Chem. Phys., 1966, 44, 7, 2684, https://doi.org/10.1063/1.1727111
. [all data]
DeKock and Weltner, 1971
DeKock, R.L.; Weltner, W., Jr.,
C2O, CN2, and C3O molecules,
J. Am. Chem. Soc., 1971, 93, 25, 7106, https://doi.org/10.1021/ja00754a081
. [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]
Wasserman, Barash, et al., 1965
Wasserman, E.; Barash, L.; Yager, W.A.,
None,
J. Am. Chem. Soc., 1965, 87, 9, 2075, https://doi.org/10.1021/ja01087a058
. [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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