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Isocyanogen


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: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
12.873PEGrabandt, De Lange, et al., 1989Species erroneously identifed as bisisocyanide (CNNC) in this paper. Correct identification established in Stroh et al, Chem. Phys. Lett., 1989, 160, 105.

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:   A


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

To = 42523 U gas Lynch, Bechtel, et al., 2007


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

a' 5 Bend 200 T gas PF Lynch, Bechtel, et al., 2007

State:   X


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

Sigma+ 1 CN s-stretch 2302.00 gas IR CARS Stroh and Winnewisser, 1989
Stroh, Winnewisser, et al., 1994
Li, Wong, et al., 2003
1 CN s-stretch 2303.7 vs Ne IR Jacox and Thompson, 2007
1 CN s-stretch 2294.4 Ar IR Stroh, Winnewisser, et al., 1989
2 CN a-stretch 2059.73 gas IR CARS Stroh and Winnewisser, 1989
Stroh, Winnewisser, et al., 1994
McNaughton, Metha, et al., 1995
Li, Wong, et al., 2003
2 CN a-stretch 2060.8 vs Ne IR Jacox and Thompson, 2007
2 CN a-stretch 2053.7 Ar IR Stroh, Winnewisser, et al., 1989
3 N-C stretch 974.42 gas IR Stroh, Winnewisser, et al., 1993
3 N-C stretch 883.93 gas IR Stroh, Winnewisser, et al., 1993
3 N-C stretch 980.3 w m Ne IR Jacox and Thompson, 2007
3 N-C stretch 889.6 w Ne IR Jacox and Thompson, 2007
3 N-C stretch 979.2 Ar IR Stroh, Winnewisser, et al., 1989
Pi 4 Bend 463.69 gas IR Stroh, Winnewisser, et al., 1989
Winnewisser, Seibert, et al., 1992
Stroh, Winnewisser, et al., 1993
4 Bend 468.2 m Ne IR Jacox and Thompson, 2007
4 Bend 468.5 Ar IR Stroh, Winnewisser, et al., 1989
4 Bend 467.2 Ar IR Stroh, Winnewisser, et al., 1989
5 Bend 194.93 gas IR Stroh and Winnewisser, 1989
Stroh, Winnewisser, et al., 1993
5 Bend 200 T Ar IR Stroh and Winnewisser, 1989

Additional references: Jacox, 1994, page 185; Jacox, 1998, page 248; Yamada, Markus, et al., 1989; Gerry, Stroh, et al., 1990

Notes

wWeak
mMedium
vsVery strong
UUpper bound
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase ion energetics 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.

Grabandt, De Lange, et al., 1989
Grabandt, O.; De Lange, C.A.; Mooyman, JR.; Van Der Does, T.; Bickelhaupt, F., He(I) photoelectron spectroscopy of diisocyanogen (CNNC), Chem. Phys. Lett., 1989, 155, 221. [all data]

Lynch, Bechtel, et al., 2007
Lynch, W.B.; Bechtel, H.A.; Steeves, A.H.; Curley, J.J.; Field, R.W., Observation of the A [sup 1]A[sup ´´] state of isocyanogen, J. Chem. Phys., 2007, 126, 24, 244307, https://doi.org/10.1063/1.2745295 . [all data]

Stroh and Winnewisser, 1989
Stroh, F.; Winnewisser, M., Isocyanogen, CNCN: Infrared and microwave spectra and structure, Chem. Phys. Lett., 1989, 155, 1, 21, https://doi.org/10.1016/S0009-2614(89)87353-1 . [all data]

Stroh, Winnewisser, et al., 1994
Stroh, F.; Winnewisser, M.; Winnewisser, B.P., The high-resolution Fourier transform infrared spectrum of isocyanogen, CNCN: rovibrational analysis of the «nu», Can. J. Phys., 1994, 72, 11-12, 1252, https://doi.org/10.1139/p94-161 . [all data]

Li, Wong, et al., 2003
Li, P.; Wong, L.K.; Fan, W.Y., Vibrational spectroscopy and 266 nm photochemistry of NCNCS and CNCN, Chem. Phys. Lett., 2003, 380, 1-2, 117, https://doi.org/10.1016/j.cplett.2003.09.016 . [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]

Stroh, Winnewisser, et al., 1989
Stroh, F.; Winnewisser, B.P.; Winnewisser, M.; Reisenauer, H.P.; Maier, G.; Goede, S.J.; Bickelhaupt, F., Matrix-isolation infrared investigation of the flash vacuum thermolysis of norbornadienone azine, Chem. Phys. Lett., 1989, 160, 2, 105, https://doi.org/10.1016/0009-2614(89)87565-7 . [all data]

McNaughton, Metha, et al., 1995
McNaughton, D.; Metha, G.F.; Tay, R., Generation of transient species by laser induced pyrolysis. The high resolution fourier transform infrared spectrum of NCN, Chem. Phys., 1995, 198, 1-2, 107, https://doi.org/10.1016/0301-0104(95)00120-D . [all data]

Stroh, Winnewisser, et al., 1993
Stroh, F.; Winnewisser, M.; Winnewisser, B.P., The High-Resolution Fourier Transform Infrared Spectrum of Isocyanogen, CNCN: Rovibrational Analysis of the «nu»4, «nu»5, and «nu»4 + «nu»5 Band Systems and the Fermi Dyad «nu»3 and 2«nu»4, J. Mol. Spectrosc., 1993, 162, 2, 435, https://doi.org/10.1006/jmsp.1993.1296 . [all data]

Winnewisser, Seibert, et al., 1992
Winnewisser, M.; Seibert, J.W.G.; Yamada, K.M.T., Rotational spectrum of CNCN in excited vibrational states, J. Mol. Spectrosc., 1992, 153, 1-2, 635, https://doi.org/10.1016/0022-2852(92)90499-E . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Yamada, Markus, et al., 1989
Yamada, K.M.T.; Markus, M.W.; Winnewisser, G.; Joentgen, W.; Kock, R.; Voegl, E.; Altenbach, H.-J., Isocyanogen as a pyrolysis product of N-cyano-2,3-diphenyl-cyclopropeneimine, Chem. Phys. Lett., 1989, 160, 2, 113, https://doi.org/10.1016/0009-2614(89)87566-9 . [all data]

Gerry, Stroh, et al., 1990
Gerry, M.C.L.; Stroh, F.; Winnewisser, M., The microwave fourier transform, millimeter-wave, and submillimeter-wave rotational spectra of isocyanogen, CNCN, J. Mol. Spectrosc., 1990, 140, 1, 147, https://doi.org/10.1016/0022-2852(90)90013-G . [all data]


Notes

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