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CNN Radical


Gas phase 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.

Quantity Value Units Method Reference Comment
Deltafgas584.51kJ/molReviewChase, 1998Data last reviewed in June, 1966
Quantity Value Units Method Reference Comment
gas,1 bar231.71J/mol*KReviewChase, 1998Data 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. - 1500.1500. - 6000.
A 37.8854059.43920
B 25.741901.347181
C -11.16580-0.234157
D 1.8602710.014361
E -0.208487-7.891410
F 571.4600551.4970
G 269.1930285.1220
H 584.5050584.5050
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1966 Data last reviewed in June, 1966

Gas phase ion energetics 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 by: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.761 ± 0.010LPESClifford, Wenthold, et al., 1998 

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

Tx = 51070 T N2 Jacox, 1978

State:   C


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

Sigma+ 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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

Sigma+ 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
Pi 2 Bend 525 ± 2 Ar LF Bondybey and English, 1977
Sigma+ 3 Asym.stretch 1807 ±

State:   b


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

To = 10690 ± 120 gas Clifford, Wenthold, et al., 1998

State:   a


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

To = 6830 ± 120 gas Clifford, Wenthold, et al., 1998


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

Sigma+ 3 Asym. stretch 1600 120 " gas PE 1998CLI/WEN7100

State:   X


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

Sigma+ 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
Pi 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
Sigma+ 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

UUpper bound
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, NIST Free Links, 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]

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]

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 3«PI»-3«SIGMA»- system of matrix-isolated CNN, J. Mol. Spectrosc., 1977, 66, 2, 188, https://doi.org/10.1016/0022-2852(77)90209-0 . [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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References