Chlorofluoromethyl radical
- Formula: CHClF
- Molecular weight: 67.470
- IUPAC Standard InChI: InChI=1S/CHClF/c2-1-3/h1H
- IUPAC Standard InChIKey: FICFQLDYKDCJHQ-UHFFFAOYSA-N
- CAS Registry Number: 33272-71-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, References, Notes
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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to CHClF+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.37 ± 0.05 | LS | Hudgens, Johnson, et al., 1993 | LL |
| 8.81 ± 0.02 | PE | Andrews, Dyke, et al., 1984 | LBLHLM |
| 9.16 ± 0.02 | PE | Andrews, Dyke, et al., 1984 | Vertical value; LBLHLM |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, NIST Free Links, References, Notes
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: J
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 55250 ± 20 | gas | Hudgens, Johnson, et al., 1993 | |||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 3 | CH deform. | 1280 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | |
| 4 | CCl stretch | 910 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | ||
| 5 | FCCl scissors | 440 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | ||
| a | 6 | OPLA | 980 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | |
State: F
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 49160 ± 20 | gas | Hudgens, Johnson, et al., 1993 | |||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 3 | CH deform. | 1280 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | |
| 4 | CCl stretch | 910 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | ||
| 5 | FCCl scissors | 440 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | ||
| a | 6 | OPLA | 980 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | |
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| 2 | H deform. | 1283 | s | Ar | IR | Prochaska, Keelan, et al., 1979 | |
| 3 | CF stretch | 1151 | s | Ar | IR | Prochaska, Keelan, et al., 1979 | |
| 4 | CCl stretch | 757 | m | Ar | IR | Prochaska, Keelan, et al., 1979 | |
| 6 | Umbrella | 540 ± 30 | gas | MPI | Hudgens, Johnson, et al., 1993 | ||
Additional references: Jacox, 1994, page 176; Prochaska and Andrews, 1980
Notes
| m | Medium |
| s | Strong |
| o | Energy 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.
Hudgens, Johnson, et al., 1993
Hudgens, J.W.; Johnson, R.D.; Tsai, B.P.,
New electronic spectra of the CHFCl radical observed with resonance enhanced multiphoton ionization,
J. Chem. Phys., 1993, 98, 1925. [all data]
Andrews, Dyke, et al., 1984
Andrews, L.; Dyke, J.M.; Jonathan, N.; Keddar, N.; Morris, A.,
Photoelectron spectroscopic study of the ground states of CH2Cl+, CHCl2+, and CHFCl+,
J. Am. Chem. Soc., 1984, 106, 299. [all data]
Prochaska, Keelan, et al., 1979
Prochaska, F.T.; Keelan, B.W.; Andrews, L.,
Infrared spectra of the CHFCl, CHFBr, and CHFI free radicals in solid argon,
J. Mol. Spectrosc., 1979, 76, 1-3, 142, https://doi.org/10.1016/0022-2852(79)90223-6
. [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]
Prochaska and Andrews, 1980
Prochaska, F.T.; Andrews, L.,
Infrared and visible absorption spectra and photochemistry of the Ch2FX+, CHFX+, F--H•••(CHX)-, and X--H•••(CHF)- molecular ions in solid argon,
J. Chem. Phys., 1980, 73, 6, 2651, https://doi.org/10.1063/1.440478
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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