Chloroketene
- Formula: C2HClO
- Molecular weight: 76.482
- IUPAC Standard InChIKey: WGZNOUWVAIGKDI-UHFFFAOYSA-N
- CAS Registry Number: 29804-89-5
- 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.24 | PE | Bock, Hirabayashi, et al., 1981 | Vertical value; LLK |
9.35 | PE | Bock, Hirabayashi, et al., 1977 | 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 | |
---|---|---|---|---|---|---|---|
a' | 2 | CO stretch | 2157.19 | gas | DL | Liu, Livingstone, et al., 2000 | |
2 | CO stretch | 2141.4 | vs | Xe | IR | Davidovics, Monnier, et al., 1991 | |
3 | HCCl deform. | 1293 | w | Xe | IR | Davidovics, Monnier, et al., 1991 | |
4 | CC stretch | 1107 | w | Xe | IR | Davidovics, Monnier, et al., 1991 | |
5 | CCl stretch | 842.2 | w | Xe | IR | Davidovics, Monnier, et al., 1991 | |
a | 8 | HClCC OPLA | 747 | Xe | IR | Davidovics, Monnier, et al., 1991 | |
Additional references: Jacox, 1994, page 269; Jacox, 2003, page 273; Gerry, Lewis-Bevan, et al., 1983
Notes
w | Weak |
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]
Bock, Hirabayashi, et al., 1977
Bock, H.; Hirabayashi, T.; Mohmand, S.; Solouki, B.,
Instabile Zwischenprodukte in der Gasphase: Der thermische Zerfall von Carbonsaurechloriden RCOCl,
Angew. Chem., 1977, 89, 106. [all data]
Liu, Livingstone, et al., 2000
Liu, Z.; Livingstone, R.J.; Davies, P.B.,
Pulse Pyrolysis Infrared Laser Jet Spectroscopy of Chloroketene,
J. Mol. Spectrosc., 2000, 201, 1, 30, https://doi.org/10.1006/jmsp.2000.8083
. [all data]
Davidovics, Monnier, et al., 1991
Davidovics, G.; Monnier, M.; Allouche, A.,
FT-IR spectral data and ab initio calculations for haloketenes,
Chem. Phys., 1991, 150, 3, 395, https://doi.org/10.1016/0301-0104(91)87112-9
. [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]
Gerry, Lewis-Bevan, et al., 1983
Gerry, M.C.L.; Lewis-Bevan, W.; Westwood, N.P.C.,
The microwave spectrum of an unstable molecule: Chloroketene ClHCCO,
J. Chem. Phys., 1983, 79, 10, 4655, https://doi.org/10.1063/1.445606
. [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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