1,3-C6H4F2+
- Formula: C6H4F2+
- Molecular weight: 114.0922
- CAS Registry Number: 65308-07-8
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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: D,E
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 34500 | T | gas | Bieri, Asbrink, et al., 1981 | ||||
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 28900 | T | gas | Bieri, Asbrink, et al., 1981 | ||||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 23169 | gas | B-A,X | 400 | 600 | Allan, Maier, et al., 1977 | ||
Bieri, Asbrink, et al., 1981 | |||||||
Fujii, Tsuchiya, et al., 1991 | |||||||
Tsuchiya, Takazawa, et al., 1992 | |||||||
To = 22998 | Ne | B-A,X | 400 | 485 | Bondybey, English, et al., 1979 | ||
To = 22680 | Ar | B-A,X | 410 | 445 | Lurito and Andrews, 1985 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1290 ± 40 | gas | PE | Bieri, Asbrink, et al., 1981 | |||
970 ± 40 | gas | PE | Bieri, Asbrink, et al., 1981 | ||||
506 | Ne | LF | Bondybey, English, et al., 1979 | ||||
500 | Ar | AB | Lurito and Andrews, 1985 | ||||
320 | gas | PF | Tsuchiya, Takazawa, et al., 1992 | ||||
b1 | 100 | H | gas | PF | Fujii, Tsuchiya, et al., 1991 Tsuchiya, Takazawa, et al., 1992 | ||
b2 | 467 | gas | PF | Tsuchiya, Takazawa, et al., 1992 | |||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 2900 ± 160 | gas | Bieri, Asbrink, et al., 1981 | |||||
State: X
Additional references: Jacox, 1994, page 429
Notes
H | (1/2)(2ν) |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy 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.
Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F),
J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]
Allan, Maier, et al., 1977
Allan, M.; Maier, J.P.; Marthaler, O.,
Radative relaxation of the B(π-1)EXCITED ELECTRONIC STATES OF THE RADICAL CATIONS OF REXAFLUOROBENZENE, PENTAFLUOROBENZENE, 1,2,3,4-, 1,2,3,5-, 1,2,4,5-TETRAFLUOROBENZENE, 1,3,5-, 1,2,4-TRIFLUOROBENZENE AND 1,3-DIFLUOROBENZENE,
Chem. Phys., 1977, 26, 1, 131, https://doi.org/10.1016/0301-0104(77)87099-7
. [all data]
Fujii, Tsuchiya, et al., 1991
Fujii, M.; Tsuchiya, Y.; Ito, M.,
Electronic spectra of fluorobenzene cations as studied by mass-selected ion dip spectroscopy,
J. Mol. Struct., 1991, 249, 1, 55, https://doi.org/10.1016/0022-2860(91)85054-7
. [all data]
Tsuchiya, Takazawa, et al., 1992
Tsuchiya, Y.; Takazawa, K.; Fujii, M.; Ito, M.,
Electronic spectra of o-, m-, and p-difluorobenzene cations: striking similarity in vibronic coupling between the neutral molecule and its cation,
J. Phys. Chem., 1992, 96, 1, 99, https://doi.org/10.1021/j100180a022
. [all data]
Bondybey, English, et al., 1979
Bondybey, V.E.; English, J.H.; Miller, T.A.,
Laser induced fluorencence matrix study of 1,3-difluorobenzene radical cation,
Chem. Phys. Lett., 1979, 66, 1, 165, https://doi.org/10.1016/0009-2614(79)80389-9
. [all data]
Lurito and Andrews, 1985
Lurito, J.T.; Andrews, L.,
Vibronic absorption spectra of fluorobenzene and difluorobenzene radical cations in solid argon,
Chem. Phys., 1985, 97, 1, 121, https://doi.org/10.1016/0301-0104(85)87084-1
. [all data]
Kwon, Kim, et al., 2003
Kwon, C.H.; Kim, H.L.; Kim, M.S.,
Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of p-, m-, and o-difluorobenzenes. Ionization energies and vibrational frequencies and structures of the cations,
J. Chem. Phys., 2003, 118, 14, 6327, https://doi.org/10.1063/1.1557931
. [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]
Notes
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