C6D6+
- Formula: C6D6+
- Molecular weight: 84.1483
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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
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | |||||||
State: X
Notes
w | Weak |
m | Medium |
s | Strong |
T | Tentative assignment or approximate value |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
xx | Energy separation between the band maxima of both the excited state and the ground state of a molecular cation, derived from a photoelectron spectrum. |
A | 0~1 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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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