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, 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, 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, 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, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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