1,2,3,5-C6H2F4+

Formula: C₆H₂F₄⁺
Molecular weight: 150.0731
CAS Registry Number: 57164-20-2
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Vibrational and/or electronic energy levels

State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 23323.7	gas	B-X	400	470	Allan, Maier, et al., 1977
					Cossart-Magos, Cossart, et al., 1979
					Bondybey and Miller, 1979
					Tuckett, 1981
T_o = 23232	Ne	B-X	400	502	Bondybey, English, et al., 1980
T_o = 22903	Ar				Bondybey, Miller, et al., 1979

Vib. sym.	No.	cm^-1		Med.	Method	References


a₁	2	1580		Ne	LF	Bondybey, English, et al., 1980
	2	1582		Ar	LF	Bondybey, Miller, et al., 1979
	3	1445	T	Ne	LF	Bondybey, English, et al., 1980
	3	1536	T	Ar	LF	Bondybey, Miller, et al., 1979
	5	1264		gas	LF	Bondybey and Miller, 1979
	5	1259		Ne	LF	Bondybey, English, et al., 1980
	5	1263		Ar	LF	Bondybey, Miller, et al., 1979
	6	1140		Ne	LF	Bondybey, English, et al., 1980
	8	783		Ne	LF	Bondybey, English, et al., 1980
	8	783		Ar	LF	Bondybey, Miller, et al., 1979
	9	569		gas	LF	Bondybey and Miller, 1979 Nibu, Fujii, et al., 1999
	9	573		Ne	LF	Bondybey, English, et al., 1980
	9	576		Ar	LF	Bondybey, Miller, et al., 1979
	10	424		gas	EM LF	Cossart-Magos, Cossart, et al., 1979 Bondybey and Miller, 1979 Nibu, Fujii, et al., 1999
	10	428		Ne	LF	Bondybey, English, et al., 1980
	10	431		Ar	LF	Bondybey, Miller, et al., 1979
	11	307		gas	EM LF	Cossart-Magos, Cossart, et al., 1979 Bondybey and Miller, 1979 Nibu, Fujii, et al., 1999
	11	305		Ne	LF	Bondybey, English, et al., 1980
	11	307		Ar	LF	Bondybey, Miller, et al., 1979

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


	gas	B-A	520	600	Allan, Maier, et al., 1977
T_o = 2442	Ne				Bondybey, Vaughn, et al., 1981

State: X

Vib. sym.	No.	cm^-1	Med.	Method	References


a₁	2	1650	gas	EM LF	Cossart-Magos, Cossart, et al., 1979 Tuckett, 1981 Nibu, Fujii, et al., 1999
	2	1647	Ne	LF	Bondybey, English, et al., 1980
	3	1458	gas	EF	Tuckett, 1981
	3	1449	Ne	LF	Bondybey, English, et al., 1980
	5	1318	gas	EM EF	Cossart-Magos, Cossart, et al., 1979 Tuckett, 1981
	5	1305	Ne	LF	Bondybey, English, et al., 1980
	8	785	Ne	LF	Bondybey, English, et al., 1980
	9	584	gas	EF LF	Tuckett, 1981 Nibu, Fujii, et al., 1999
	9	581	Ne	LF	Bondybey, English, et al., 1980
	9	586	Ar	LF	Bondybey, Miller, et al., 1979
	10	424	gas	EM LF	Cossart-Magos, Cossart, et al., 1979 Tuckett, 1981 Nibu, Fujii, et al., 1999
	10	426	Ne	LF	Bondybey, English, et al., 1980
	10	429	Ar	LF	Bondybey, Miller, et al., 1979
	11	305	gas	EM LF	Cossart-Magos, Cossart, et al., 1979 Tuckett, 1981 Nibu, Fujii, et al., 1999
	11	303	Ne	LF	Bondybey, English, et al., 1980
	11	307	Ar	LF	Bondybey, Miller, et al., 1979

Additional references: Jacox, 1994, page 436; Jacox, 2003, page 400; Dujardin, Leach, et al., 1980; Maier and Thommen, 1981; Bondybey, Vaughn, et al., 1981, 2

Notes

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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

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]

Cossart-Magos, Cossart, et al., 1979
Cossart-Magos, C.; Cossart, D.; Leach, S., Emission spectra of seven fluorobenzene cations, Mol. Phys., 1979, 37, 3, 793, https://doi.org/10.1080/00268977900103201 . [all data]

Bondybey and Miller, 1979
Bondybey, V.E.; Miller, T.A., Laser induced fluorescence from fluorobenzene radical cations in the gas phase, J. Chem. Phys., 1979, 70, 1, 138, https://doi.org/10.1063/1.437231 . [all data]

Tuckett, 1981
Tuckett, R.P., Fluorescence spectra of fluorobenzene cations excited in a supersonic molecular beam, Chem. Phys., 1981, 58, 2, 151, https://doi.org/10.1016/0301-0104(81)80052-3 . [all data]

Bondybey, English, et al., 1980
Bondybey, V.E.; English, J.H.; Miller, T.A., Laser-induced fluorescence spectra of several nonsymmetrical fluorobenzene radical cations in solid Ne, J. Mol. Spectrosc., 1980, 81, 2, 455, https://doi.org/10.1016/0022-2852(80)90205-2 . [all data]

Bondybey, Miller, et al., 1979
Bondybey, V.E.; Miller, T.A.; English, J.H., Matrix laser fluorescence spectra of several fluorobenzene radical cations, J. Am. Chem. Soc., 1979, 101, 5, 1248, https://doi.org/10.1021/ja00499a033 . [all data]

Nibu, Fujii, et al., 1999
Nibu, Y.; Fujii, N.; Shimada, H., Electronic Spectra of Tetrafluorobenzene Cations Produced by Pulsed Glow Discharge in a Supersonic Free Jet., Bull. Chem. Soc. Japan, 1999, 72, 11, 2395, https://doi.org/10.1246/bcsj.72.2395 . [all data]

Bondybey, Vaughn, et al., 1981
Bondybey, V.E.; Vaughn, C.R.; Miller, T.A.; English, J.H.; Shiley, R.H., Halogenated benzene radical cations and ground state degeneracy splitting by asymmetric substitution, J. Chem. Phys., 1981, 74, 12, 6584, https://doi.org/10.1063/1.441120 . [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, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Dujardin, Leach, et al., 1980
Dujardin, G.; Leach, S.; Taieb, G., Fluorescence quantum yields and lifetimes of nine fluorobenzene cations. Electronic state relaxation processes, Chem. Phys., 1980, 46, 3, 407, https://doi.org/10.1016/0301-0104(80)85217-7 . [all data]

Maier and Thommen, 1981
Maier, J.P.; Thommen, F., Fluorescence quantum yields and lifetimes of fluorobenzene cations in selected levels of their B and C states determined by photoelectron-photoion coincidence spectroscopy, Chem. Phys., 1981, 57, 319. [all data]

Bondybey, Vaughn, et al., 1981, 2
Bondybey, V.E.; Vaughn, C.; Miller, T.A.; English, J.H.; Shiley, R.H., Spectroscopy and decay dynamics of several methyl- and fluorine-substituted benzene radical cations, J. Am. Chem. Soc., 1981, 103, 21, 6303, https://doi.org/10.1021/ja00411a006 . [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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