CH3CN+

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:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 38600 ± 1000 gas Frost, Herring, et al., 1970
Asbrink, von Niessen, et al., 1980

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 26630 ± 320 gas Frost, Herring, et al., 1970
Lake and Thompson, 1970
Asbrink, von Niessen, et al., 1980
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CH3 umbrella 1440 ± 80 gas PE Asbrink, von Niessen, et al., 1980
4 C-C stretch 860 ± 80 gas PE Asbrink, von Niessen, et al., 1980

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 7580 ± 320 gas Frost, Herring, et al., 1970
Lake and Thompson, 1970
Asbrink, von Niessen, et al., 1980
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CH3 umbrella 1290 ± 80 gas PE Lake and Thompson, 1970
Turner, 1970
Asbrink, von Niessen, et al., 1980

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 CN stretch 2004 ± 2 gas PE TPE Frost, Herring, et al., 1970
Lake and Thompson, 1970
Turner, 1970
Asbrink, von Niessen, et al., 1980
Yang, Zhou, et al., 2005
3 CH3 umbrella 1430 ± 80 gas PE Turner, 1970
Asbrink, von Niessen, et al., 1980
4 C-C stretch 804 ± 3 gas PE TPE Lake and Thompson, 1970
Turner, 1970
Asbrink, von Niessen, et al., 1980
Yang, Zhou, et al., 2005
e 6 CH3 deform. 1179 ± 3 gas TPE Yang, Zhou, et al., 2005
8 CCN deform. 360 ± 5 gas TPE Yang, Zhou, et al., 2005
8 CCN deform. 235 ± 5 gas TPE Yang, Zhou, et al., 2005

Additional references: Jacox, 1994, page 312

Notes

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.

Frost, Herring, et al., 1970
Frost, D.C.; Herring, F.G.; McDowell, C.A.; Stenhouse, I.A., The ionization potentials of methyl cyanide and methyl acetylene by photoelectron spectroscopy and semi-rigorous LCAO SCF calculations, Chem. Phys. Lett., 1970, 4, 533. [all data]

Asbrink, von Niessen, et al., 1980
Asbrink, L.; von Niessen, W.; Bieri, G., 30.4-nm He(II) Photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 21, 1, 93, https://doi.org/10.1016/0368-2048(80)85039-0 . [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., The photoelectron spectra of some molecules containing the C N group, Proc. Roy. Soc. (London), 1970, A317, 187. [all data]

Turner, 1970
Turner, D.W., Molecular Photoelectron Spectroscopy, Phil. Trans. Roy. Soc. (London) A268, 1970, 268, 1184, 7, https://doi.org/10.1098/rsta.1970.0059 . [all data]

Yang, Zhou, et al., 2005
Yang, J.; Zhou, C.; Mo, Y., The Jahn-Teller Effect in CH, J. Phys. Chem. A, 2005, 109, 44, 9964, https://doi.org/10.1021/jp054366f . [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]

Notes

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