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Methyl cation


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 1E'


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

To = 50510 ± 280 gas Dyke, Jonathan, et al., 1976

State:   a 3E'


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

To = 39700 ± 280 gas Dyke, Jonathan, et al., 1976

State:   X


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

a2 2 OPLA 1359 ± 7 gas TPE PD Koenig, Balle, et al., 1975
Dyke, Jonathan, et al., 1976
Liu, Gross, et al., 2001
Cunha de Miranda, Alcaraz, et al., 2010
e' 3 CH stretch 3108.38 gas LD Crofton, Kreiner, et al., 1985
Crofton, Jagod, et al., 1988
Jagod, Gabrys, et al., 1994
3 CH stretch 3115.05 T H gas PF Olkhov, Nizkorodov, et al., 1999
3 CH stretch 3119.37 T gas PF Dopfer, Olkhov, et al., 2000
3 CH stretch 3145 ± 30 A gas PF Olkhov, Nizkorodov, et al., 1998
4 Deformation 1370 ± 7 gas PD Liu, Gross, et al., 2001

Additional references: Jacox, 1994, page 124; Jacox, 1998, page 213; Jacox, 2003, page 156; Dickinson, Chelmick, et al., 2001; Schulenburg, Alcaraz, et al., 2006

Notes

H(1/2)(2nu)
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
A0~1 cm-1 uncertainty

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.

Dyke, Jonathan, et al., 1976
Dyke, J.; Jonathan, N.; Lee, E.; Morris, A., J. Chem. Soc., 1976, Faraday Trans. 2 72, 1385. [all data]

Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W., Helium(I) photoelectron spectra of organic radicals, J. Am. Chem. Soc., 1975, 97, 662. [all data]

Liu, Gross, et al., 2001
Liu, X.; Gross, R.L.; Suits, A.G., "Heavy Electron" Photoelectron Spectroscopy: Rotationally Resolved Ion Pair Imaging of CH3+, Science, 2001, 294, 5551, 2527, https://doi.org/10.1126/science.1066595 . [all data]

Cunha de Miranda, Alcaraz, et al., 2010
Cunha de Miranda, B.K.; Alcaraz, C.; Elhanine, M.; Noller, B.; Hemberger, P.; Fischer, I.; Garcia, G.A.; Soldi-Lose, H., et al., Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH, J. Phys. Chem. A, 2010, 114, 14, 4818, https://doi.org/10.1021/jp909422q . [all data]

Crofton, Kreiner, et al., 1985
Crofton, M.W.; Kreiner, W.A.; Jagod, M.-F.; Rehfuss, G.D.; Oka, T., Observation of the infrared spectrum of methyl cation CH+3, J. Chem. Phys., 1985, 83, 7, 3702, https://doi.org/10.1063/1.449125 . [all data]

Crofton, Jagod, et al., 1988
Crofton, M.W.; Jagod, M.-F.; Rehfuss, B.D.; Kreiner, W.A.; Oka, T., Infrared spectroscopy of carbo-ions. III. «nu»3 band of methyl cation CH+3, J. Chem. Phys., 1988, 88, 2, 666, https://doi.org/10.1063/1.454194 . [all data]

Jagod, Gabrys, et al., 1994
Jagod, M.-F.; Gabrys, C.M.; Rosslein, M.; Uy, D.; Oka, T., Infrared spectrum of CH, Can. J. Phys., 1994, 72, 11-12, 1192, https://doi.org/10.1139/p94-153 . [all data]

Olkhov, Nizkorodov, et al., 1999
Olkhov, R.V.; Nizkorodov, S.A.; Dopfer, O., Intermolecular interaction in the CH[sub 3][sup +]--He ionic complex revealed by ab initio calculations and infrared photodissociation spectroscopy, J. Chem. Phys., 1999, 110, 19, 9527, https://doi.org/10.1063/1.478917 . [all data]

Dopfer, Olkhov, et al., 2000
Dopfer, O.; Olkhov, R.V.; Maier, J.P., Microsolvation of the methyl cation in neon: Infrared spectra and ab initio calculations of CH[sub 3][sup +]--Ne and CH[sub 3][sup +]--Ne[sub 2], J. Chem. Phys., 2000, 112, 5, 2176, https://doi.org/10.1063/1.480783 . [all data]

Olkhov, Nizkorodov, et al., 1998
Olkhov, R.V.; Nizkorodov, S.A.; Dopfer, O., Infrared photodissociation spectra of CH[sub 3][sup +]--Ar[sub n] complexes (n=1--8), J. Chem. Phys., 1998, 108, 24, 10046, https://doi.org/10.1063/1.476465 . [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]

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]

Dickinson, Chelmick, et al., 2001
Dickinson, H.; Chelmick, T.; Softley, T.P., (2+1´) mass analyzed threshold ionization (MATI) spectroscopy of the CD3 radical, Chem. Phys. Lett., 2001, 338, 1, 37, https://doi.org/10.1016/S0009-2614(01)00229-9 . [all data]

Schulenburg, Alcaraz, et al., 2006
Schulenburg, A.M.; Alcaraz, Ch.; Grassi, G.; Merkt, F., Rovibrational photoionization dynamics of methyl and its isotopomers studied by high-resolution photoionization and photoelectron spectroscopy, J. Chem. Phys., 2006, 125, 10, 104310, https://doi.org/10.1063/1.2348875 . [all data]


Notes

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