1,4-C6H4F2+
- Formula: C6H4F2+
- Molecular weight: 114.0922
- CAS Registry Number: 59331-60-1
- Information on this page:
- Options:
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: E
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 41600 ± 1000 | gas | Bieri, Asbrink, et al., 1981 | |||||
State: D
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 36800 ± 1000 | gas | Bieri, Asbrink, et al., 1981 | |||||
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 27100 ± 1000 | gas | Bieri, Asbrink, et al., 1981 | |||||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 23754 | gas | B-X | 390 | 425 | Bieri, Asbrink, et al., 1981 | ||
Tsuchiya, Fujii, et al., 1989 | |||||||
Tsuchiya, Fujii, et al., 1990 | |||||||
To = 23200 | Ne | Bondybey, Miller, et al., 1980 | |||||
Ar | B-X | 395 | 425 | Lurito and Andrews, 1985 | |||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
ag | 1450 ± 40 | gas | PE | Bieri, Asbrink, et al., 1981 | |||
404 ± 10 | gas | ID | Tsuchiya, Fujii, et al., 1990 | ||||
400 | T | Ne | AB | Bondybey, Miller, et al., 1980 | |||
400 | Ar | AB | Lurito and Andrews, 1985 | ||||
au | 8 | 200 | H | gas | ID | Tsuchiya, Fujii, et al., 1990 | |
b3u | 30 | 144 | H | gas | ID | Tsuchiya, Fujii, et al., 1989 Tsuchiya, Fujii, et al., 1990 | |
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 7180 ± 160 | gas | Bieri, Asbrink, et al., 1981 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
ag | 1355 ± 40 | gas | PE | Bieri, Asbrink, et al., 1981 | |||
State: X
State: ?
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
b2g | 16 | 740 | T | gas | TPI | Kwon, Kim, et al., 2003 | |
Additional references: Jacox, 1994, page 430; Jacox, 1998, page 369
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]
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]
Tsuchiya, Fujii, et al., 1990
Tsuchiya, Y.; Fujii, M.; Ito, M.,
Electronic spectra of p-difluorobenzene cation by mass-selected ion dip spectroscopy in a supersonic jet,
Chem. Phys. Lett., 1990, 168, 2, 173, https://doi.org/10.1016/0009-2614(90)85125-V
. [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]
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]
Reiser, Rieger, et al., 1993
Reiser, G.; Rieger, D.; Wright, T.G.; Muller-Dethlefs, K.; Schlag, E.W.,
Zero-kinetic-energy (ZEKE) photoelectron spectroscopy of p-difluorobenzene via different intermediate vibrational levels in the S1 state,
J. Phys. Chem., 1993, 97, 17, 4335, https://doi.org/10.1021/j100119a015
. [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]
Rieger, Reiser, et al., 1992
Rieger, D.; Reiser, G.; Muller-Dethlefs, K.; Schlag, E.W.,
Zero kinetic energy photoelectron spectroscopy of p-difluorobenzene,
J. Phys. Chem., 1992, 96, 12. [all data]
Sekreta, Viswanathan, et al., 1989
Sekreta, E.; Viswanathan, K.S.; Reilly, J.P.,
The laser photoelectron spectrum of gas phase p-difluorobenzene,
J. Chem. Phys., 1989, 90, 10, 5349, https://doi.org/10.1063/1.456441
. [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]
Notes
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