Dichlorofluoromethyl radical
- Formula: CCl2F
- Molecular weight: 101.915
- CAS Registry Number: 1691-90-3
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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
B - John E. Bartmess
View reactions leading to CCl2F+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°(+) ion | 703. | kJ/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.42102 | R-A | Poutsma, Paulino, et al., 1997 | B |
>2.40 ± 0.20 | EIAE | Illenberger, Baumgartel, et al., 1979 | From CF2Cl2; B |
1.10 ± 0.30 | NBAE | Dispert and Lacmann, 1978 | From CFCl3; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12. ± 1. | DER | Langford and Harris, 1990 | LL |
8.5 ± 0.5 | CIEL | Griffiths, Harris, et al., 1989 | LL |
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
m | Medium |
vs | Very strong |
U | Upper bound |
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.
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
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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