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Methane ion


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:   C


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

To = 78870 ± 160 gas Brundle, Robin, et al., 1970
Potts and Price, 1972


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

a1 1 CH stretch 2190 ± 80 gas PE Potts and Price, 1972

State:   B


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

Tx = 19240 T gas Baker, Baker, et al., 1968
Pullen, Carlson, et al., 1970
Brundle, Robin, et al., 1970
Rabalais, Bergmark, et al., 1971
Potts and Price, 1972

State:   A


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

To = 3350 U gas Baker, Baker, et al., 1968
Pullen, Carlson, et al., 1970
Brundle, Robin, et al., 1970
Rabalais, Bergmark, et al., 1971
Potts and Price, 1972


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

1300 ± 100 gas PE Rabalais, Bergmark, et al., 1971

State:   X


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

1700 ± 100 gas PE Rabalais, Bergmark, et al., 1971
1200 ± 100 gas PE Brundle, Robin, et al., 1970
Rabalais, Bergmark, et al., 1971

Additional references: Jacox, 1994, page 227; Jacox, 2003, page 246; Chupka and Berkowitz, 1971; Knight, Steadman, et al., 1984; Paddon-Row, Fox, et al., 1985; Berkowitz, Greene, et al., 1987; Frey and Davidson, 1988; Knight, King, et al., 1995; Signorell and Merkt, 1999; Signorell, Sommavilla, et al., 1999; Signorell and Merkt, 2000; Worner, van der Veen, et al., 2006

Notes

UUpper bound
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

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.

Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H., Electronic energies and electronic structures of the fluoromethanes, J. Chem. Phys., 1970, 53, 2196. [all data]

Potts and Price, 1972
Potts, A.W.; Price, W.C., The photoelectron spectra of methane, silane germane and stannane, Proc. R. Soc. London A:, 1972, 165. [all data]

Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W., The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]

Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E., Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane, J. Chem. Phys., 1970, 53, 768. [all data]

Rabalais, Bergmark, et al., 1971
Rabalais, J.W.; Bergmark, T.; Werme, L.O.; Karlsson, L.; Siegbahn, K., The Jahn-Teller effect in the electron spectrum of methane, Phys. Scr., 1971, 3, 13. [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]

Chupka and Berkowitz, 1971
Chupka, W.A.; Berkowitz, J., Photoionization of methane: ionization potential and proton affinity of CH4, J. Chem. Phys., 1971, 54, 4256. [all data]

Knight, Steadman, et al., 1984
Knight, L.B., Jr.; Steadman, J.; Feller, D.; Davidson, E.R., Experimental evidence for a C2v (2B1) ground-state structure of the methane cation radical: ESR and ab initio CI investigations of methane cation radicals (CH4+ and CD2H2+) in neon matrixes at 4 K, J. Am. Chem. Soc., 1984, 106, 12, 3700, https://doi.org/10.1021/ja00324a066 . [all data]

Paddon-Row, Fox, et al., 1985
Paddon-Row, M.N.; Fox, D.J.; Pople, J.A.; Houk, K.N.; Pratt, D.W., Dynamic Jahn-Teller effect in methane radical cation. Location of the transition structures for hydrogen scrambling and inversion, J. Am. Chem. Soc., 1985, 107, 25, 7696, https://doi.org/10.1021/ja00311a078 . [all data]

Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B., The ionization potentials of CH4 and CD4, J. Chem. Phys., 1987, 86, 674. [all data]

Frey and Davidson, 1988
Frey, R.F.; Davidson, E.R., Potential energy surfaces of CH+4, J. Chem. Phys., 1988, 88, 3, 1775, https://doi.org/10.1063/1.454101 . [all data]

Knight, King, et al., 1995
Knight, L.B., Jr.; King, G.M.; Petty, J.T.; Matsushita, M.; Momose, T.; Shida, T., Electron spin resonance studies of the methane radical cations (12,13CH+4, 12,13CDH+3, 12CD2H+2, 12CD3H+, 12CD+4) in solid neon matrices between 2.5 and 11 K: Analysis of tunneling, J. Chem. Phys., 1995, 103, 9, 3377, https://doi.org/10.1063/1.470222 . [all data]

Signorell and Merkt, 1999
Signorell, R.; Merkt, F., The first rotationally resolved spectrum of CH[sub 4][sup +], J. Chem. Phys., 1999, 110, 5, 2309, https://doi.org/10.1063/1.477965 . [all data]

Signorell, Sommavilla, et al., 1999
Signorell, R.; Sommavilla, M.; Merkt, F., Jahn--Teller distortion in CD2H2+ from a rotationally resolved photoelectron spectrum, Chem. Phys. Lett., 1999, 312, 2-4, 139, https://doi.org/10.1016/S0009-2614(99)00949-5 . [all data]

Signorell and Merkt, 2000
Signorell, R.; Merkt, F., Faraday Discuss. Chem. Soc., 2000, 115, 205. [all data]

Worner, van der Veen, et al., 2006
Worner, H.J.; van der Veen, R.; Merkt, F., Jahn-Teller Effect in the Methane Cation: Rovibronic Structure and the Geometric Phase, Phys. Rev. Lett., 2006, 97, 17, 173003, https://doi.org/10.1103/PhysRevLett.97.173003 . [all data]


Notes

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