Formyl chloride
- Formula: CHClO
- Molecular weight: 64.471
- IUPAC Standard InChIKey: GFAUNYMRSKVDJL-UHFFFAOYSA-N
- CAS Registry Number: 2565-30-2
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
11.51 | PE | Frost, McDowell, et al., 1977 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, NIST Free Links, 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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 32760 | gas | A-X | 230 | 314 | Judge and Moule, 1985 | ||
Libuda, Zabel, et al., 1990 | |||||||
Ding, Orr-Ewing, et al., 1999 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 2 | CO stretch | 1153.8 | gas | AB | Judge and Moule, 1985 | |
4 | CCl stretch | 633.6 | gas | AB | Judge and Moule, 1985 | ||
5 | ClCO deform. | 306.3 | gas | AB | Judge and Moule, 1985 | ||
a | 6 | Umbrella (OPLA) | 779.5 | gas | AB | Judge and Moule, 1985 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CH stretch | 2929.18 | w | gas | IR | Hisatsune and Heicklen, 1973 Niki, Maker, et al., 1978 Libuda, Zabel, et al., 1990 |
2 | CO stretch | 1784.14 | vs | gas | IR | Hisatsune and Heicklen, 1973 Niki, Maker, et al., 1978 Libuda, Zabel, et al., 1990 Joo, Clouthier, et al., 1994 | |
3 | CH bend | 1307.21 | m | gas | IR | Hisatsune and Heicklen, 1973 Niki, Maker, et al., 1978 Libuda, Zabel, et al., 1990 Joo, Clouthier, et al., 1993 | |
4 | CCl stretch | 738.80 | vs | gas | IR | Hisatsune and Heicklen, 1973 Niki, Maker, et al., 1978 Libuda, Zabel, et al., 1990 French, Clouthier, et al., 1994 | |
5 | CCl bend | 457.02 | w | gas | IR | Hisatsune and Heicklen, 1973 Libuda, Zabel, et al., 1990 French, Clouthier, et al., 1994 | |
a | 6 | OPLA | 932.15 | w | gas | IR | Hisatsune and Heicklen, 1973 Niki, Maker, et al., 1978 Libuda, Zabel, et al., 1990 Joo, Clouthier, et al., 1995 |
Additional references: Jacox, 1994, page 170; Jacox, 1998, page 239; Jacox, 2003, page 194; Takeo and Matsumura, 1976; Davis and Gerry, 1983; Joo, Laboy, et al., 1995
Notes
w | Weak |
m | Medium |
vs | Very 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, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Frost, McDowell, et al., 1977
Frost, D.C.; McDowell, C.A.; Westwood, N.P.C.,
The photoelectron spectrum of formyl chloride,
Chem. Phys. Lett., 1977, 51, 607. [all data]
Judge and Moule, 1985
Judge, R.H.; Moule, D.C.,
The electronic transition in formyl chloride, CHClO,
J. Mol. Spectrosc., 1985, 113, 2, 302, https://doi.org/10.1016/0022-2852(85)90269-3
. [all data]
Libuda, Zabel, et al., 1990
Libuda, H.G.; Zabel, F.; Fink, E.H.; Becker, K.H.,
Formyl chloride: UV absorption cross sections and rate constants for the reactions with chlorine atom and hydroxyl radical,
J. Phys. Chem., 1990, 94, 15, 5860, https://doi.org/10.1021/j100378a047
. [all data]
Ding, Orr-Ewing, et al., 1999
Ding, H.; Orr-Ewing, A.J.; Dixon, R.N.,
Rotational structure in the Ã1A´´--X1A´ spectrum of formyl chloride,
Phys. Chem. Chem. Phys., 1999, 1, 18, 4181, https://doi.org/10.1039/a904907j
. [all data]
Hisatsune and Heicklen, 1973
Hisatsune, I.C.; Heicklen, J.,
Can. J. Spectrosc., 1973, 18, 77. [all data]
Niki, Maker, et al., 1978
Niki, H.; Maker, P.D.; Breitenbach, L.P.; Savage, C.M.,
FTIR studies of the kinetics and mechanism for the reaction of Cl atom with formaldehyde,
Chem. Phys. Lett., 1978, 57, 4, 596, https://doi.org/10.1016/0009-2614(78)85328-7
. [all data]
Joo, Clouthier, et al., 1994
Joo, D.L.; Clouthier, D.J.; Merer, A.J.,
Determination of the spectroscopic constants of a dark vibrational state: Fermi and Coriolis perturbations in the ν2 band of formyl chloride,
J. Chem. Phys., 1994, 101, 1, 31, https://doi.org/10.1063/1.468191
. [all data]
Joo, Clouthier, et al., 1993
Joo, D.L.; Clouthier, D.J.; Lau, B.; Merer, A.J.,
An Analysis of the High-Resolution Infrared Spectrum of the ν3 Band of Formyl Chloride,
J. Mol. Spectrosc., 1993, 161, 1, 123, https://doi.org/10.1006/jmsp.1993.1221
. [all data]
French, Clouthier, et al., 1994
French, J.L.; Clouthier, D.J.; Chan, C.P.; Ma, E.S.F.; Lai, V.W.-M.; Merer, A.J.; Judge, R.H.,
Rotational Analysis of the High-Resolution Infrared Spectra of the ν4 and ν5 Bands of Formyl Chloride,
J. Mol. Spectrosc., 1994, 168, 1, 99, https://doi.org/10.1006/jmsp.1994.1263
. [all data]
Joo, Clouthier, et al., 1995
Joo, D.-L.; Clouthier, D.J.; Merer, A.J.,
A High-Resolution Fourier Transform Infrared Study of the Out-of-Plane Bending Fundamentals of HCOCl and DCOCl,
J. Mol. Spectrosc., 1995, 174, 2, 353, https://doi.org/10.1006/jmsp.1995.0007
. [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, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [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]
Takeo and Matsumura, 1976
Takeo, H.; Matsumura, C.,
Microwave spectrum of formyl chloride,
J. Chem. Phys., 1976, 64, 11, 4536, https://doi.org/10.1063/1.432083
. [all data]
Davis and Gerry, 1983
Davis, R.W.; Gerry, M.C.L.,
The microwave spectrum, harmonic force field, and structure of formyl chloride,
J. Mol. Spectrosc., 1983, 97, 1, 117, https://doi.org/10.1016/0022-2852(83)90340-5
. [all data]
Joo, Laboy, et al., 1995
Joo, D.-L.; Laboy, J.; Kolomeisky, A.; Zhuo, Q.; Clouthier, D.J.; Chan, C.P.; Merer, A.J.; Judge, R.H.,
A High-Resolution Fourier Transform Infrared Study of the ν3, ν4, and ν5 Bands of Deuterated Formyl Chloride (DCOCl),
J. Mol. Spectrosc., 1995, 170, 2, 346, https://doi.org/10.1006/jmsp.1995.1076
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References
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