CNC 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
ΔfH°gas133.00kcal/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
S°gas,1 bar55.186cal/mol*KReviewChase, 1998Data last reviewed in March, 1967

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. - 1100.1100. - 6000.
A 7.39377014.72520
B 16.907000.128375
C -14.77150-0.035550
D 4.6422810.003584
E -0.027756-0.676945
F 130.0720126.7290
G 59.5531170.18549
H 133.0000133.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1967 Data last reviewed in March, 1967

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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 34802.33 gas B-X 283 288 Merer and Travis, 1966
To = 34602 ± 20 Ar B-X 276 292 Jacox, 1978
To = 34305 ± 20 Ar B-X 276 292 Jacox, 1978
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Πu 2 Bend 398 gas AB Merer and Travis, 1966
2 Bend 385 ± 20 Ar AB Jacox, 1978

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 30338.53 gas A-X 325 332 Merer and Travis, 1966
To = 30294 ± 20 Ne Wyss, Riaplov, et al., 2001
To = 30048 ± 20 Ar A-X 324 333 Jacox, 1978
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Πu 2 Bend 440 gas AB Merer and Travis, 1966

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Πu 2 Bend 321 gas AB Merer and Travis, 1966
Σu+ 3 Asym. stretch 1452.4 Ne IR Wyss, Riaplov, et al., 2001
Jacox and Thompson, 2007
3 Asym. stretch 1453 s Ar IR Jacox, 1978

Additional references: Jacox, 1994, page 69; Jacox, 2003, page 100

Notes

sStrong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

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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]

Merer and Travis, 1966
Merer, A.J.; Travis, D.N., THE ABSORPTION SPECTRUM OF CNC, Can. J. Phys., 1966, 44, 2, 353, https://doi.org/10.1139/p66-029 . [all data]

Jacox, 1978
Jacox, M.E., Matrix isolation study of the vacuum ultraviolet photolysis of methyl cyanide, J. Mol. Spectrosc., 1978, 71, 1-3, 369, https://doi.org/10.1016/0022-2852(78)90091-7 . [all data]

Wyss, Riaplov, et al., 2001
Wyss, M.; Riaplov, E.; Maier, J.P.; Hochlaf, M.; Rosmus, P., The A1Π(u)←X1Σ Electronic Transition of CCN+ and CNC+, Helv. Chim. Acta, 2001, 84, 6, 1432, https://doi.org/10.1002/1522-2675(20010613)84:6<1432::AID-HLCA1432>3.0.CO;2-S . [all data]

Jacox and Thompson, 2007
Jacox, M.E.; Thompson, W.E., Infrared spectroscopy and photochemistry of NCCN[sup +] and CNCN[sup +] trapped in solid neon, J. Chem. Phys., 2007, 126, 5, 054308, https://doi.org/10.1063/1.2433945 . [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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