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Chlorofluoromethylene


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to CClF+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)184.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity176.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12. ± 1.DERLangford and Harris, 1990LL
10.7DERLias, Bartmess, et al., 1988LL
10.62DERLias, Karpas, et al., 1985LBLHLM

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:   A


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

To = 25284.0 gas A-X 342 466 Bialkowski, King, et al., 1979
Xiang, 1988
Schlachta, Lask, et al., 1991
Karolczak, Joo, et al., 1993
Guss, Votava, et al., 2001
To = 24983 Ar A-X 340 667 Smith, Milligan, et al., 1971
Tevault and Andrews, 1975
Bondybey and English, 1977


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

a' 1 CF stretch 1229 ± 2 w gas LF Guss, Votava, et al., 2001
2 Bend 391 gas LF Bialkowski, King, et al., 1979
Schlachta, Lask, et al., 1991
Karolczak, Joo, et al., 1993
Guss, Votava, et al., 2001
2 Bend 392 ± 1 Ar LF Bondybey and English, 1977
3 CCl stretch 713 gas LF Schlachta, Lask, et al., 1991
Karolczak, Joo, et al., 1993
Guss, Votava, et al., 2001
3 CCl stretch 712 ± 2 Ar LF Bondybey and English, 1977

State:   X


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

a' 1 CF stretch 1154 gas LF Bialkowski, King, et al., 1979
Xiang, 1988
Schlachta, Lask, et al., 1991
Karolczak, Joo, et al., 1993
Guss, Votava, et al., 2001
1 CF stretch 1146 vs Ar IR Smith, Milligan, et al., 1971
2 Bend 447 gas LF Bialkowski, King, et al., 1979
Xiang, 1988
Schlachta, Lask, et al., 1991
Karolczak, Joo, et al., 1993
Guss, Votava, et al., 2001
2 Bend 442 Ar LF Tevault and Andrews, 1975
Bondybey and English, 1977
3 CCl stretch 753 gas LF Bialkowski, King, et al., 1979
Xiang, 1988
Schlachta, Lask, et al., 1991
Karolczak, Joo, et al., 1993
Guss, Votava, et al., 2001
3 CCl stretch 742 s Ar IR Smith, Milligan, et al., 1971

Additional references: Jacox, 1994, page 98; Jacox, 2003, page 138; Huie, Long, et al., 1977; Tiee, Wampler, et al., 1979; Ibuki, Hiraya, et al., 1989

Notes

wWeak
sStrong
vsVery strong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Lias, Karpas, et al., 1985
Lias, S.G.; Karpas, Z.; Liebman, J.F., Halomethylenes: Effects of halogen substitution on absolute heats of formation, J. Am. Chem. Soc., 1985, 107, 6089. [all data]

Bialkowski, King, et al., 1979
Bialkowski, S.E.; King, D.S.; Stephenson, J.C., The gas phase laser induced fluorescence spectroscopy of chlorofluoromethylene, J. Chem. Phys., 1979, 71, 10, 4010, https://doi.org/10.1063/1.438167 . [all data]

Xiang, 1988
Xiang, T.-X., Infrared laser dissociation of CF2CFCl in a molecular beam: Spectroscopy and energy distribution, and relaxation of CFCl radical, Chem. Phys. Lett., 1988, 147, 2-3, 183, https://doi.org/10.1016/0009-2614(88)85080-2 . [all data]

Schlachta, Lask, et al., 1991
Schlachta, R.; Lask, G.M.; Bondybey, V.E., J. Chem. Soc., 1991, Faraday Trans. 87, 2407. [all data]

Karolczak, Joo, et al., 1993
Karolczak, J.; Joo, D.L.; Clouthier, D.J., The electronic spectrum of chlorofluorocarbene, J. Chem. Phys., 1993, 99, 3, 1447, https://doi.org/10.1063/1.465313 . [all data]

Guss, Votava, et al., 2001
Guss, J.S.; Votava, O.; Kable, S.H., Electronic spectroscopy of jet-cooled CFCl: Laser-induced fluorescence, dispersed fluorescence, lifetimes, and C--Cl dissociation barrier, J. Chem. Phys., 2001, 115, 24, 11118, https://doi.org/10.1063/1.1418732 . [all data]

Smith, Milligan, et al., 1971
Smith, C.E.; Milligan, D.E.; Jacox, M.E., Matrix-Isolation Study of the Vacuum-Ultraviolet Photolysis of Chlorofluoromethane. The Infrared and Ultraviolet Spectra of the Free Radical ClCF, J. Chem. Phys., 1971, 54, 7, 2780, https://doi.org/10.1063/1.1675257 . [all data]

Tevault and Andrews, 1975
Tevault, D.E.; Andrews, L., Ultraviolet laser-induced fluorescence spectrum of fluorochlorocarbene in solid argon, J. Mol. Spectrosc., 1975, 54, 1, 54, https://doi.org/10.1016/0022-2852(75)90007-7 . [all data]

Bondybey and English, 1977
Bondybey, V.E.; English, J.H., Spectroscopy of the ClCF radical in solid argon, J. Mol. Spectrosc., 1977, 68, 1, 89, https://doi.org/10.1016/0022-2852(77)90424-6 . [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]

Huie, Long, et al., 1977
Huie, R.E.; Long, N.J.T.; Thrush, B.A., Laser induced fluorescence of CFCl and CCl2 in the gas phase, Chem. Phys. Lett., 1977, 51, 2, 197, https://doi.org/10.1016/0009-2614(77)80383-7 . [all data]

Tiee, Wampler, et al., 1979
Tiee, J.J.; Wampler, F.B.; Rice, W.W., Laser-induced fluorescence excitation spectra of CCl2 and CFCI radicals in the gas phase, Chem. Phys. Lett., 1979, 65, 3, 425, https://doi.org/10.1016/0009-2614(79)80264-X . [all data]

Ibuki, Hiraya, et al., 1989
Ibuki, T.; Hiraya, A.; Shobatake, K., Photochemistry of CCl3F and CCl2F2 in the 106--200 nm region, J. Chem. Phys., 1989, 90, 11, 6290, https://doi.org/10.1063/1.456345 . [all data]


Notes

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