C6H6+

• Formula: C₆H₆⁺
• Molecular weight: 78.1113
• CAS Registry Number: 34504-50-2
• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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:   G

State:   F

State:   E

State:   D

State:   C

State:   B

State:   X

Additional references: Jacox, 1994, page 388; Jacox, 1998, page 347; Jacox, 2003, page 368; Chewter, Sander, et al., 1987; Tsuchiya, Fujii, et al., 1989; Lindner, Sekiya, et al., 1993, 2; Neuhauser, Siglow, et al., 1997; Rennie, Johnson, et al., 1998; Ford, Lindner, et al., 2003

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.

Asbrink, Lindholm, et al., 1970
Asbrink, L.; Lindholm, E.; Edqvist, O., Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene, Chem. Phys. Lett., 1970, 5, 609. [all data]

Kimura, et al., 1981
Kimura, K., et al., Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, 1981, Halsted Press, New York. [all data]

Baltzer, Karlsson, et al., 1997
Baltzer, P.; Karlsson, L.; Wannberg, B.; Ohrwall, G.; Holland, D.M.P.; MacDonald, M.A.; Hayes, M.A.; von Niessen, W., An experimental and theoretical study of the valence shell photoelectron spectrum of the benzene molecule, Chem. Phys., 1997, 224, 1, 95, https://doi.org/10.1016/S0301-0104(97)00244-9 . [all data]

Bondybey, Miller, et al., 1980
Bondybey, V.E.; Miller, T.A.; English, J.H., Electronic absorption spectra of molecular cations, J. Chem. Phys., 1980, 72, 3, 2193, https://doi.org/10.1063/1.439316 . [all data]

Walter, Weinkauf, et al., 1989
Walter, K.; Weinkauf, R.; Boesl, U.; Schlag, E.W., Spectroscopy of the benzene cation: Resonance-enhanced multiphoton dissociation spectra of the B(E2g)←X(E1g) transition, Chem. Phys. Lett., 1989, 155, 1, 8, https://doi.org/10.1016/S0009-2614(89)87351-8 . [all data]

Taylor, Goode, et al., 1995
Taylor, D.P.; Goode, J.G.; LeClaire, J.E.; Johnson, P.M., Photoinduced Rydberg ionization spectroscopy, J. Chem. Phys., 1995, 103, 14, 6293, https://doi.org/10.1063/1.470409 . [all data]

Goode, Hofstein, et al., 1997
Goode, J.G.; Hofstein, J.D.; Johnson, P.M., The observation of strong pseudo-Jahn--Teller activity in the benzene cation B [sup 2]E[sub 2g] state, J. Chem. Phys., 1997, 107, 6, 1703, https://doi.org/10.1063/1.474526 . [all data]

Johnson, 2002
Johnson, P.M., The Jahn--Teller effect in the lower electronic states of benzene cation. II. Vibrational analysis and coupling constants of the B [sup 2]E[sub 2g] state, J. Chem. Phys., 2002, 117, 22, 10001, https://doi.org/10.1063/1.1519007 . [all data]

Kwon, Kim, et al., 2003
Kwon, C.H.; Kim, H.L.; Kim, M.S., Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C[sub 6]H[sub 6][sup +] and C[sub 6]D[sub 6][sup +] in the B [sup 2]E[sub 2g] state, J. Chem. Phys., 2003, 119, 8, 4305, https://doi.org/10.1063/1.1592512 . [all data]

Miller and Andrews, 1980
Miller, J.H.; Andrews, L., Fluorescence spectrum of the benzene radical cation in solid argon, Chem. Phys. Lett., 1980, 72, 1, 90, https://doi.org/10.1016/0009-2614(80)80248-X . [all data]

Miller, Andrews, et al., 1980
Miller, J.H.; Andrews, L.; Lund, P.A.; Schatz, P.N., Argon matrix photolysis and photoionization studies of benzene. Absorption spectrum of benzene cation and benzene dimer cation, J. Chem. Phys., 1980, 73, 10, 4932, https://doi.org/10.1063/1.440023 . [all data]

Kwon, Kim, et al., 2003, 2
Kwon, C.H.; Kim, H.L.; Kim, M.S., Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C[sub 6]H[sub 6][sup +] and C[sub 6]D[sub 6][sup +] in the X [sup 2]E[sub 1g] state, J. Chem. Phys., 2003, 119, 1, 215, https://doi.org/10.1063/1.1577317 . [all data]

Long, Meek, et al., 1983
Long, S.R.; Meek, J.T.; Reilly, J.P., The laser photoelectron spectrum of gas phase benzene, J. Chem. Phys., 1983, 79, 7, 3206, https://doi.org/10.1063/1.446229 . [all data]

Muller, Fan, et al., 1989
Muller, G.; Fan, J.Y.; Lyman, J.L.; Schmid, W.E.; Kompa, K.L., Two-laser resonance-enhanced photoionization spectrum of benzene, J. Chem. Phys., 1989, 90, 7, 3490, https://doi.org/10.1063/1.455859 . [all data]

Burrill, Zhou, et al., 2003
Burrill, A.B.; Zhou, J.T.; Johnson, P.M., Mass-Analyzed Threshold Ionization Spectra of C, J. Phys. Chem. A, 2003, 107, 23, 4601, https://doi.org/10.1021/jp027643g . [all data]

Burrill, Xhung, et al., 2004
Burrill, A.B.; Xhung, Y.K.; Mann, H.A.; Johnson, P.M., The Jahn--Teller effect in the lower electronic states of benzene cation. III. The ground-state vibrations of C[sub 6]H[sub 6][sup +] and C[sub 6]D[sub 6][sup +], J. Chem. Phys., 2004, 120, 18, 8587, https://doi.org/10.1063/1.1691818 . [all data]

Bakker, Satink, et al., 2002
Bakker, J.M.; Satink, R.G.; von Helden, G.; Meijer, G., Infrared photodissociation spectroscopy of benzene???Ne,Ar complex cations, Phys. Chem. Chem. Phys., 2002, 4, 1, 24, https://doi.org/10.1039/b108221c . [all data]

Satink, Piest, et al., 1999
Satink, R.G.; Piest, H.; von Helden, G.; Meijer, G., The infrared spectrum of the benzene--Ar cation, J. Chem. Phys., 1999, 111, 24, 10750, https://doi.org/10.1063/1.480438 . [all data]

Dopfer, Olkhov, et al., 1999
Dopfer, O.; Olkhov, R.V.; Maier, J.P., Infrared photodissociation spectra of the C--H stretch vibrations of C[sub 6]H[sub 6][sup +]--Ar, C[sub 6]H[sub 6][sup +]--N[sub 2], and C[sub 6]H[sub 6][sup +]--(CH[sub 4])[sub 1--4], J. Chem. Phys., 1999, 111, 24, 10754, https://doi.org/10.1063/1.480492 . [all data]

Lindner, Sekiya, et al., 1993
Lindner, R.; Sekiya, H.; Muller-Dethlefs, K., Dynamischer Jahn-Teller-Effekt im Benzol-Kation: Rotationsaufgelöste ZEKE Photoelektronenspektren derv6(e2g)-Mode, Angew. Chem., 1993, 105, 9, 1384, https://doi.org/10.1002/ange.19931050923 . [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]

Chewter, Sander, et al., 1987
Chewter, L.A.; Sander, M.; Muller-Dethlefs, K.; Schalg, E.W., High resolution zero kinetic energy photoelectron spectroscopy of benzene and determination of the ionization potential, J. Chem. Phys., 1987, 86, 4737. [all data]

Tsuchiya, Fujii, et al., 1989
Tsuchiya, Y.; Fujii, M.; Ito, M., Electronic spectra of isolated cations in supersonic jets by mass-selected ion-dip spectroscopy. Cations of benzene, p-difluorobenzene, and 1,3,5-trifluorobenzene, J. Chem. Phys., 1989, 90, 12, 6965, https://doi.org/10.1063/1.456272 . [all data]

Lindner, Sekiya, et al., 1993, 2
Lindner, R.; Sekiya, H.; Beyl, B.; Muller-Dethlefs, K., Struktur und Symmetrie des Benzol-Kations, Angew. Chem., 1993, 105, 4, 631, https://doi.org/10.1002/ange.19931050439 . [all data]

Neuhauser, Siglow, et al., 1997
Neuhauser, R.G.; Siglow, K.; Neusser, H.J., High n Rydberg spectroscopy of benzene: Dynamics, ionization energy and rotational constants of the cation, J. Chem. Phys., 1997, 106, 3, 896, https://doi.org/10.1063/1.473170 . [all data]

Rennie, Johnson, et al., 1998
Rennie, E.E.; Johnson, C.A.F.; Parker, J.E.; Holland, D.M.P.; Shaw, D.A.; Hayes, M.A., A photoabsorption, photodissociation and photoelectron spectroscopy study of C6H6 and C6D6, Chem. Phys., 1998, 229, 1, 107, https://doi.org/10.1016/S0301-0104(97)00373-X . [all data]

Ford, Lindner, et al., 2003
Ford, M.; Lindner, R.; Muller-Dethlefs, K., Fully rotationally resolved ZEKE photoelectron spectroscopy of C, Mol. Phys., 2003, 101, 4-5, 705, https://doi.org/10.1080/0026897021000054916 . [all data]

Notes

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

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