Methane ion

• Formula: CH₄⁺
• Molecular weight: 16.0419
• IUPAC Standard InChI: InChI=1S/CH3/h1H3/q-1 Copy

  
• IUPAC Standard InChIKey: LGRLWUINFJPLSH-UHFFFAOYSA-N Copy
• CAS Registry Number: 20741-88-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Carbon anion
• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
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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

State:   B

State:   A

State:   X

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

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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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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