Dichlorofluoromethyl radical

Gas phase ion energetics data

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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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

View reactions leading to CCl2F+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
ΔfH°(+) ion703.kJ/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
2.42102R-APoutsma, Paulino, et al., 1997B
>2.40 ± 0.20EIAEIllenberger, Baumgartel, et al., 1979From CF2Cl2; B
1.10 ± 0.30NBAEDispert and Lacmann, 1978From CFCl3; B

Ionization energy determinations

IE (eV) Method Reference Comment
12. ± 1.DERLangford and Harris, 1990LL
8.5 ± 0.5CIELGriffiths, Harris, et al., 1989LL

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:   3p Ryd
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 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

mMedium
vsVery strong
UUpper bound
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R., Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study., J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f . [all data]

Illenberger, Baumgartel, et al., 1979
Illenberger, T.; Baumgartel, H.; Scheunemann, H., Negative Ion Formation in CF2Cl2, CF3Cl, and CFCl3 Following Low Energy (0-10eV) Impact with Near Monoenergetic Electrons, Chem. Phys., 1979, 37, 1, 21, https://doi.org/10.1016/0301-0104(79)80003-8 . [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

Langford and Harris, 1990
Langford, M.L.; Harris, F.M., Experimental determination of the energies required to ionize the ions CFCl+, CFBr+, CClBr+, CF2Cl+, CF2Br+, CCl2F+, CBr2F+, and CBr2Cl+, Int. J. Mass Spectrom. Ion Phys., 1990, 96, 111. [all data]

Griffiths, Harris, et al., 1989
Griffiths, W.J.; Harris, F.M.; Barton, J.D., Experimental determination of the single-ionization energies of two environmentally important free radicals, CF2Cl and CFCl2, Rapid Commun. Mass Spectrom., 1989, 3, 283. [all data]

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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