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1,3-C6H4F2+


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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 34500 T gas Bieri, Asbrink, et al., 1981

State:   C


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

Tx = 28900 T gas Bieri, Asbrink, et al., 1981

State:   B


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

To = 2900 ± 160 gas Bieri, Asbrink, et al., 1981

State:   X


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

a1 4 1605 gas TPI Kwon, Kim, et al., 2003
5 1559 gas TPI Kwon, Kim, et al., 2003
5 1560 Ne LF Bondybey, English, et al., 1979
6 1355 gas TPI Kwon, Kim, et al., 2003
7 1092 gas TPI Kwon, Kim, et al., 2003
7 1092 Ne LF Bondybey, English, et al., 1979
8 987 gas TPI Kwon, Kim, et al., 2003
9 728 gas TPI Kwon, Kim, et al., 2003
10 505 gas PE TPI Bieri, Asbrink, et al., 1981
Kwon, Kim, et al., 2003
10 504 Ne LF Bondybey, English, et al., 1979
11 343 gas PF TPI Tsuchiya, Takazawa, et al., 1992
Kwon, Kim, et al., 2003
11 344 Ne LF Bondybey, English, et al., 1979
a2 12 909 gas TPI Kwon, Kim, et al., 2003
13 614 gas TPI Kwon, Kim, et al., 2003
14 199 gas TPI Kwon, Kim, et al., 2003
b1 16 885 gas TPI Kwon, Kim, et al., 2003
17 784 gas TPI Kwon, Kim, et al., 2003
18 587 gas TPI Kwon, Kim, et al., 2003
19 379 gas TPI Kwon, Kim, et al., 2003
20 190 gas PF TPI Tsuchiya, Takazawa, et al., 1992
Kwon, Kim, et al., 2003
b2 22 1496 gas TPI Kwon, Kim, et al., 2003
23 1429 gas TPI Kwon, Kim, et al., 2003
25 1377 gas TPI Kwon, Kim, et al., 2003
27 1258 gas TPI Kwon, Kim, et al., 2003
28 923 gas TPI Kwon, Kim, et al., 2003
29 467 gas TPI Kwon, Kim, et al., 2003
30 418 gas PF TPI Tsuchiya, Takazawa, et al., 1992
Kwon, Kim, et al., 2003

Additional references: Jacox, 1994, page 429

Notes

H(1/2)(2nu)
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy 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(«pi»-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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