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C6D6+


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


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

Txx = 62000 T gas Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998


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

a1g 1 CD stretch 2240 ± 100 gas PE Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998
2 Ring stretch 920 ± 100 gas PE Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998

State:   F


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

Txx = 50000 T gas Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998


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

a1g 1 CD stretch 1610 T gas PE Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998

State:   B


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

Txx = 18362 gas Asbrink, Lindholm, et al., 1970
Goode, Hofstein, et al., 1997
Rennie, Johnson, et al., 1998
Johnson, 2002
Kwon, Kim, et al., 2003
Tx = 18215 T Ar B,C-X 470 545 Miller and Andrews, 1980
Miller, Andrews, et al., 1980


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

a1g 1 CD stretch 2140 ± 100 gas PE Asbrink, Lindholm, et al., 1970
2 934 gas TPI Kwon, Kim, et al., 2003
a2u 4 CD bend 486 gas PRI Goode, Hofstein, et al., 1997
b2g 8 574 gas TPI Kwon, Kim, et al., 2003
e1u 14 CD bend (B1u) 451 gas PRI Goode, Hofstein, et al., 1997
14 CD bend (B2u) 425 gas PRI Goode, Hofstein, et al., 1997
e2g 16 Ring stretch 1450 ± 100 gas PE Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998
17 CD bend (j=1/2) 849 gas PE TPI Asbrink, Lindholm, et al., 1970
Rennie, Johnson, et al., 1998
Kwon, Kim, et al., 2003
17 CD bend (j=3/2) 745 gas TPI Kwon, Kim, et al., 2003
17 CD bend (j=3/2) 729 gas PRI TPI Johnson, 2002
Kwon, Kim, et al., 2003
18 Ring def.(j=1/2) 597 gas PE PRI Asbrink, Lindholm, et al., 1970
Goode, Hofstein, et al., 1997
Rennie, Johnson, et al., 1998
Kwon, Kim, et al., 2003
18 Ring def.(j=1/2) 590 ± 60 Ar AB Miller, Andrews, et al., 1980
18 Ring def.(j=3/2) 481 gas PRI TPI Johnson, 2002
Kwon, Kim, et al., 2003
18 Ring def.(j=3/2) 373 gas PRI TPI Johnson, 2002
Kwon, Kim, et al., 2003
e2u 19 CD bend 780 gas PRI TPI Johnson, 2002
Kwon, Kim, et al., 2003
20 Ring def. (E2u) 218 gas PRI Goode, Hofstein, et al., 1997
20 Ring def. (A2u) 151 gas PRI TPI Goode, Hofstein, et al., 1997
Kwon, Kim, et al., 2003

State:   X


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

a1g 1 CD stretch 2350 gas PE TPI Asbrink, Lindholm, et al., 1970
Kwon, Kim, et al., 2003, 2
2 Ring stretch 923 gas PE TPI Asbrink, Lindholm, et al., 1970
Long, Meek, et al., 1983
Rennie, Johnson, et al., 1998
Burrill, Zhou, et al., 2003
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
a2g 3 1024 gas TPI Burrill, Xhung, et al., 2004
a2u 4 496 gas TPI Burrill, Zhou, et al., 2003
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
4 485 s A gas FE Satink, Piest, et al., 1999
Bakker, Satink, et al., 2002
b1u 6 840 T gas TPI Kwon, Kim, et al., 2003, 2
b2g 7 750 gas TPI Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
8 Ring deform. 345 gas PE TPI Long, Meek, et al., 1983
Burrill, Zhou, et al., 2003
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
b2u 9 1327 gas TPI Kwon, Kim, et al., 2003, 2
10 829 gas TPI Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
e1g 11 (E2g) 658 T gas TPI Kwon, Kim, et al., 2003, 2
11 (A1g) 550 T gas TPI Kwon, Kim, et al., 2003, 2
e1u 12 2331 gas TPI Kwon, Kim, et al., 2003, 2
13 1221 gas TPI Burrill, Zhou, et al., 2003
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
13 1223 s A gas FE Satink, Piest, et al., 1999
14 766 gas TPI Kwon, Kim, et al., 2003, 2
14 773 w m A gas FE Satink, Piest, et al., 1999
e2g 15 (E1g) 2292 gas TPI Kwon, Kim, et al., 2003, 2
15 (B2g) 2168 gas TPI Kwon, Kim, et al., 2003, 2
16 Ring stretch 1316 gas TPI Burrill, Xhung, et al., 2004
16 Ring stretch 1120 gas TPI Burrill, Xhung, et al., 2004
16 Ring stretch 1409 gas TPI Kwon, Kim, et al., 2003, 2
17 CD bend (E1g) 873 gas TPI Burrill, Zhou, et al., 2003
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
17 CD bend (B2g) 795 gas TPI Burrill, Xhung, et al., 2004
17 CD bend (B1g) 783 gas TPI Burrill, Xhung, et al., 2004
18 Ring def. (E1g) 634 gas PE TPI Asbrink, Lindholm, et al., 1970
Long, Meek, et al., 1983
Goode, Hofstein, et al., 1997
Rennie, Johnson, et al., 1998
Burrill, Zhou, et al., 2003
Burrill, Xhung, et al., 2004
18 Ring deform. 590 ± 10 T Ar LF Miller and Andrews, 1980
18 Ring def. (B2g) 356 gas MPI Goode, Hofstein, et al., 1997
Burrill, Xhung, et al., 2004
18 Ring def. (B1g) 335 gas PE TPI Long, Meek, et al., 1983
Goode, Hofstein, et al., 1997
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
e2u 19 866 gas TPI Burrill, Xhung, et al., 2004
19 813 gas TPI Burrill, Xhung, et al., 2004
20 Ring def. (B2u) 289 gas TPI Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
20 Ring def. (E1u) 262 gas PE TPI Long, Meek, et al., 1983
Goode, Hofstein, et al., 1997
Burrill, Zhou, et al., 2003
Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004
20 Ring def. (B1u) 252 gas TPI Kwon, Kim, et al., 2003, 2
Burrill, Xhung, et al., 2004

Notes

wWeak
mMedium
sStrong
TTentative assignment or approximate value
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
xxEnergy separation between the band maxima of both the excited state and the ground state of a molecular cation, derived from a photoelectron spectrum.
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.

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]

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]

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]

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]

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]

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]


Notes

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