CH2=C=NH

Vibrational and/or electronic energy levels

Go To: Top, 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 = 38900 gas Callear and Lee, 1968
Doughty, Bacskay, et al., 1994
To = 38790 Ar Jacox, 1979

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 32840 gas A-X 273 317 Callear and Lee, 1968
Doughty, Bacskay, et al., 1994
To = 32680 Ar A-X 273 306 Jacox, 1979
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 990 Ar AB Jacox, 1979

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 3 CCN a-stretch 2043.58 gas IR Ito, Nakanaga, et al., 1990
3 CCN a-stretch 2040 vs Ar IR Jacox and Milligan, 1963
Jacox, 1979
5 Mixed 1124 w m Ar IR Jacox and Milligan, 1963
Jacox, 1979
6 NH deform. 1000.24 gas IR Ito and Nakanaga, 2010
Bane, Robertson, et al., 2011
6 NH deform. 1000 s Ar IR Jacox and Milligan, 1963
Jacox, 1979
7 CH2 wag 692.85 gas IR Bane, Robertson, et al., 2011, 2
Bane, Robertson, et al., 2011
7 H2CC OPLA 690 m Ar IR Jacox and Milligan, 1963
Jacox, 1979
8 CCN bend 466.45 gas IR Bane, Thompson, et al., 2011
Bane, Robertson, et al., 2011, 2
a 10 CH2 rock 983.13 gas IR Bane, Robertson, et al., 2011
11 Torsion 872 m Ar IR Jacox and Milligan, 1963
Jacox, 1979
12 CCN bend 409.04 gas IR Bane, Thompson, et al., 2011
Bane, Robertson, et al., 2011, 2

Additional references: Jacox, 1994, page 316; Jacox, 1998, page 312; Hopkinson, Lien, et al., 1977; Rodler, Brown, et al., 1984; Rodler, Brown, et al., 1986

Notes

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

References

Go To: Top, 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.

Callear and Lee, 1968
Callear, A.B.; Lee, H.K., Electronic spectra of the free allyl radical and some of its simple derivatives, Trans. Faraday Soc., 1968, 64, 308, https://doi.org/10.1039/tf9686400308 . [all data]

Doughty, Bacskay, et al., 1994
Doughty, A.; Bacskay, G.B.; Mackie, J.C., Experimental and ab Initio Theoretical Study of the Kinetics of Rearrangement of Ketene Imine to Acetonitrile, J. Phys. Chem., 1994, 98, 51, 13546, https://doi.org/10.1021/j100102a020 . [all data]

Jacox, 1979
Jacox, M.E., Matrix isolation study of the interaction of excited argon atoms with methyl cyanide, vibrational and electronic spectra of ketenimine, Chem. Phys., 1979, 43, 2, 157, https://doi.org/10.1016/0301-0104(79)85184-8 . [all data]

Ito, Nakanaga, et al., 1990
Ito, F.; Nakanaga, T.; Sugawara, K.; Takeo, H.; Sugie, M.; Matsumura, C.; Hamada, Y., Observation of the high-resolution infrared spectrum of the ν4 band of ketenimine, CH2CNH, J. Mol. Spectrosc., 1990, 140, 1, 177, https://doi.org/10.1016/0022-2852(90)90016-J . [all data]

Jacox and Milligan, 1963
Jacox, M.E.; Milligan, D.E., J. Am. Chem. Soc., 1963, 85, 3, 278, https://doi.org/10.1021/ja00886a006 . [all data]

Ito and Nakanaga, 2010
Ito, F.; Nakanaga, T., Observation of the high-resolution spectrum of the N--H bending vibration of ketenimine CH2CNH, J. Mol. Spectrosc., 2010, 264, 2, 100, https://doi.org/10.1016/j.jms.2010.09.012 . [all data]

Bane, Robertson, et al., 2011
Bane, M.K.; Robertson, E.G.; Thompson, C.D.; Appadoo, D.R.T.; McNaughton, D., High-resolution Fourier-transform infrared spectroscopy of the ν6 and Coriolis perturbation allowed ν10 modes of ketenimine, J. Chem. Phys., 2011, 135, 22, 224306, https://doi.org/10.1063/1.3664624 . [all data]

Bane, Robertson, et al., 2011, 2
Bane, M.K.; Robertson, E.G.; Thompson, C.D.; Medcraft, C.; Appadoo, D.R.T.; McNaughton, D., High-resolution Fourier-transform infrared spectroscopy of the Coriolis coupled ground state and ν7 mode of ketenimine, J. Chem. Phys., 2011, 134, 23, 234306, https://doi.org/10.1063/1.3597775 . [all data]

Bane, Thompson, et al., 2011
Bane, M.K.; Thompson, C.D.; Robertson, E.G.; Appadoo, D.R.T.; McNaughton, D., High-resolution FTIR spectroscopy of the ν8 and Coriolis perturbation allowed ν12 bands of ketenimine, Phys. Chem. Chem. Phys., 2011, 13, 15, 6793, https://doi.org/10.1039/c0cp01816c . [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]

Hopkinson, Lien, et al., 1977
Hopkinson, A.C.; Lien, M.H.; Yates, K.; Mezey, P.G.; Csizmadia, I.G., A nonempirical molecular orbital study on the acidity of the carbon--hydrogen bond, J. Chem. Phys., 1977, 67, 2, 517, https://doi.org/10.1063/1.434907 . [all data]

Rodler, Brown, et al., 1984
Rodler, M.; Brown, R.D.; Godfrey, P.D.; Tack, L.M., Generation, microwave spectrum and dipole moment of ketenimine, Chem. Phys. Lett., 1984, 110, 5, 447, https://doi.org/10.1016/0009-2614(84)87068-2 . [all data]

Rodler, Brown, et al., 1986
Rodler, M.; Brown, R.D.; Godfrey, P.D.; Kleibomer, B., The rotation-inversion spectrum of ketenimine, H2C«58875»C«58875»NH, J. Mol. Spectrosc., 1986, 118, 1, 267, https://doi.org/10.1016/0022-2852(86)90240-7 . [all data]

Notes

Go To: Top, Vibrational and/or electronic energy levels, References