Dichlorofluoromethyl radical

Formula: CCl₂F
Molecular weight: 101.915
CAS Registry Number: 1691-90-3
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Vibrational and/or electronic energy levels

State: 3p Ryd

Energy (cm^-1)		Med.	Transition	References


T_o = 49850	U	gas	3p-X	Tsai, Johnson, et al., 1989

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


a₁	3	CCl₂ scissors	270 ± 30	gas	MPI	Tsai, Johnson, et al., 1989
b₁	4	OPLA	590 ± 20	gas	MPI	Tsai, Johnson, et al., 1989

State: X

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


a'	1	CF stretch	1143	vs	Ar	IR	Milligan, Jacox, et al., 1973 Prochaska and Andrews, 1978
	2	CCl stretch	747	m	Ar	IR	Milligan, Jacox, et al., 1973 Prochaska and Andrews, 1978
a	5	CCl stretch	919	vs	Ar	IR	Milligan, Jacox, et al., 1973 Prochaska and Andrews, 1978

Additional references: Jacox, 1994, page 216

Notes

Medium

Very strong

Upper bound

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

References

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Tsai, Johnson, et al., 1989
Tsai, B.P.; Johnson, R.D., III; Hudgens, J.W., Electronic spectra of chlorodifluoromethyl and dichlorofluoromethyl radicals observed by resonance-enhanced multiphoton ionization, J. Phys. Chem., 1989, 93, 14, 5334, https://doi.org/10.1021/j100351a004 . [all data]

Milligan, Jacox, et al., 1973
Milligan, D.E.; Jacox, M.E.; McAuley, J.H.; Smith, C.E., Matrix isolation study of the vacuum-ultraviolet photolysis of HCCIF2 and of HCCl2F. Infrared spectra of the parent molecules and of the ClCF2 and FCCl2 free radicals, J. Mol. Spectrosc., 1973, 45, 3, 377, https://doi.org/10.1016/0022-2852(73)90209-9 . [all data]

Prochaska and Andrews, 1978
Prochaska, F.T.; Andrews, L., Matrix radiolysis and photoionization of CFCl3. Infrared spectra of CFCl+2 and the parent cation, J. Chem. Phys., 1978, 68, 12, 5568, https://doi.org/10.1063/1.435686 . [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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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