Difluoromethyl radical
- Formula: CHF2
- Molecular weight: 51.0154
- IUPAC Standard InChIKey: JNCMHMUGTWEVOZ-UHFFFAOYSA-N
- CAS Registry Number: 2670-13-5
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, 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: F 3p
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 49312 ± 10 | gas | Dearden, Hudgens, et al., 1992 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | CF stretch | 1365 ± 8 | gas | MPI | Dearden, Hudgens, et al., 1992 | |
3 | CF2 scissors | 660 ± 20 | gas | MPI | Dearden, Hudgens, et al., 1992 | ||
b1 | 4 | OPLA | 1022 ± 1 | gas | MPI | Dearden, Hudgens, et al., 1992 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 2 | CF s-stretch | 1164 | s | Ar | IR | Carver and Andrews, 1969 Jacox, 1980 |
3 | Umbrella | 949 ± 10 | gas | MPI | Dearden, Hudgens, et al., 1992 | ||
a | 5 | HCF deform. | 1317 | m | Ar | IR | Carver and Andrews, 1969 Jacox, 1980 |
6 | CF a-stretch | 1173 | vs | Ar | IR | Carver and Andrews, 1969 Jacox, 1980 | |
Additional references: Jacox, 1994, page 176; Jacox, 2003, page 199; Fessenden and Schuler, 1965
Notes
m | Medium |
s | Strong |
vs | Very strong |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, 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.
Dearden, Hudgens, et al., 1992
Dearden, D.V.; Hudgens, J.W.; Johnson, R.D., III; Tsai, B.P.; Kafafi, S.A.,
Spectroscopic and ab initio studies of difluoromethyl radicals and cations,
J. Phys. Chem., 1992, 96, 2, 585, https://doi.org/10.1021/j100181a017
. [all data]
Carver and Andrews, 1969
Carver, T.G.; Andrews, L.,
Infrared Spectrum of the Difluoromethyl Radical in Solid Argon,
J. Chem. Phys., 1969, 50, 12, 5100, https://doi.org/10.1063/1.1671024
. [all data]
Jacox, 1980
Jacox, M.E.,
Infrared spectroscopic study of the reaction of H atoms with CF2 in argon and nitrogen matrices,
J. Mol. Spectrosc., 1980, 81, 2, 349, https://doi.org/10.1016/0022-2852(80)90198-8
. [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]
Fessenden and Schuler, 1965
Fessenden, R.W.; Schuler, R.H.,
ESR Spectra and Structure of the Fluorinated Methyl Radicals,
J. Chem. Phys., 1965, 43, 8, 2704, https://doi.org/10.1063/1.1697199
. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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