dichloroketene
- Formula: C2Cl2O
- Molecular weight: 110.927
- IUPAC Standard InChIKey: TVWWMKZMZALOFP-UHFFFAOYSA-N
- CAS Registry Number: 4591-28-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethenone, dichloro-
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.0 | PE | Bock, Hirabayashi, et al., 1981 | LLK |
9.15 | PE | Bock, Hirabayashi, et al., 1981 | Vertical value; LLK |
9.07 ± 0.02 | PE | Colbourne, Frost, et al., 1980 | Vertical value; LLK |
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: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
C=O stretch | 2160.3 | s | gas | IR | Gerry, Lewis-Bevan, et al., 1985 | ||
C=O stretch | 2158 | vs | Ar | IR | Torres, Ribo, et al., 1981 Khabashesku, Mal'tsev, et al., 1987 | ||
C=C stretch | 1291 | w | gas | IR | Gerry, Lewis-Bevan, et al., 1985 | ||
C=C stretch | 1291 | w | Ar | IR | Torres, Ribo, et al., 1981 Khabashesku, Mal'tsev, et al., 1987 | ||
CCl2 a-stretch | 936 | s | gas | IR | Gerry, Lewis-Bevan, et al., 1985 | ||
CCl2 a-stretch | 935 | m | Ar | IR | Torres, Ribo, et al., 1981 Khabashesku, Mal'tsev, et al., 1987 | ||
605 | Ar | IR | Khabashesku, Mal'tsev, et al., 1987 | ||||
441 | Ar | IR | Khabashesku, Mal'tsev, et al., 1987 | ||||
Additional references: Jacox, 1994, page 285; Rozsondai, Tremmel, et al., 1989
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
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.
Bock, Hirabayashi, et al., 1981
Bock, H.; Hirabayashi, T.; Mohmand, S.,
Thermische erzeugung von alkyl- und halogenketenen,
Chem. Ber., 1981, 114, 2595. [all data]
Colbourne, Frost, et al., 1980
Colbourne, D.; Frost, D.C.; McDowell, C.A.; Westwood, N.P.C.,
Dichloroketen; gas phase preparation and characterisation by photoelectron spectroscopy,
J. Chem. Soc., Chem. Commun., 1980, 250. [all data]
Gerry, Lewis-Bevan, et al., 1985
Gerry, M.C.L.; Lewis-Bevan, W.; Westwood, N.P.C.,
On the infrared spectrum and dipole moment of dichloroketene,
Can. J. Chem., 1985, 63, 3, 676, https://doi.org/10.1139/v85-110
. [all data]
Torres, Ribo, et al., 1981
Torres, M.; Ribo, J.; Clement, A.; Strausz, O.P.,
Nouv. J. Chim., 1981, 5, 351. [all data]
Khabashesku, Mal'tsev, et al., 1987
Khabashesku, V.N.; Mal'tsev, A.K.; Bertoti, I.; Sekei, T.; Nefedov, O.M.,
Dokl. Akad. Nauk SSSR, 1987, 293, 927. [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]
Rozsondai, Tremmel, et al., 1989
Rozsondai, B.; Tremmel, J.; Hargittai, I.; Khabashesku, V.N.; Kagramanov, N.D.; Nefedov, O.M.,
Molecular structures of unstable dichloroketene and its precursor, trichloroacetyl chloride, from electron diffraction,
J. Am. Chem. Soc., 1989, 111, 8, 2845, https://doi.org/10.1021/ja00190a017
. [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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