HCOCN
- Formula: C2HNO
- Molecular weight: 55.0354
- CAS Registry Number: 4471-47-0
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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: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 26283.396 | gas | A-X | 345 | 385 | Judge, Moule, et al., 1986 | ||
| Karolczak, Clouthier, et al., 1991 | |||||||
| Clouthier, Karolczak, et al., 1992 | |||||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 3 | CO stretch | 1308 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | |
| 4 | HCO bend | 1121 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | ||
| 5 | CC stretch | 943 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | ||
| 6 | CCO bend | 530 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | ||
| 7 | CCN bend | 217 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | ||
| a | 8 | Bend | 418 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | |
| 9 | Bend | 376 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 1 | CH stretch | 2892 | m | gas | IR | Lewis-Bevan, Gaston, et al., 1992 |
| 2 | CN stretch | 2229 | m | gas | IR | Clouthier and Moule, 1987 Lewis-Bevan, Gaston, et al., 1992 Clouthier, Karolczak, et al., 1992 | |
| 3 | C=O stretch | 1716 | s | gas | IR | Clouthier and Moule, 1987 Lewis-Bevan, Gaston, et al., 1992 Clouthier, Karolczak, et al., 1992 | |
| 4 | CH rock | 1383 | gas | IR | Lewis-Bevan, Gaston, et al., 1992 | ||
| 5 | C-C stretch | 914 | m s | gas | IR | Clouthier and Moule, 1987 Lewis-Bevan, Gaston, et al., 1992 Clouthier, Karolczak, et al., 1992 | |
| 6 | CCO bend | 626 | w | gas | IR | Lewis-Bevan, Gaston, et al., 1992 | |
| 7 | CCN bend | 230 | gas | LF IR | Judge, Moule, et al., 1986 Clouthier and Moule, 1987 Clouthier, Karolczak, et al., 1992 | ||
| a | 8 | CH wag | 960 | gas | EM | Clouthier, Karolczak, et al., 1992 | |
| 9 | CCN bend | 278 | gas | LF | Judge, Moule, et al., 1986 Clouthier, Karolczak, et al., 1992 | ||
Additional references: Jacox, 1994, page 269; Jacox, 1998, page 287; Bogey, Destombes, et al., 1988; Bogey, Demuynck, et al., 1995
Notes
| w | Weak |
| m | Medium |
| s | 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, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Judge, Moule, et al., 1986
Judge, R.H.; Moule, D.C.; Biernacki, A.; Benkel, M.; Ross, J.M.; Rustenburg, J.,
Laser excitation spectrum and the long path length absorption spectrum of formyl cyanide, CHOCN,
J. Mol. Spectrosc., 1986, 116, 2, 364, https://doi.org/10.1016/0022-2852(86)90133-5
. [all data]
Karolczak, Clouthier, et al., 1991
Karolczak, J.; Clouthier, D.J.; Judge, R.H.; Moule, D.C.,
High-resolution absorption and pyrolysis jet spectroscopy of the 000 band of the electronic transition of formyl cyanide, HCOCN,
J. Mol. Spectrosc., 1991, 147, 1, 61, https://doi.org/10.1016/0022-2852(91)90168-A
. [all data]
Clouthier, Karolczak, et al., 1992
Clouthier, D.J.; Karolczak, J.; Rae, J.; Chan, W.-T.; Goddard, J.D.; Judge, R.H.,
Pyrolysis jet spectroscopy: The S1--S0 band system of formyl cyanide, HCOCN, and DCOCN,
J. Chem. Phys., 1992, 97, 3, 1638, https://doi.org/10.1063/1.463152
. [all data]
Lewis-Bevan, Gaston, et al., 1992
Lewis-Bevan, W.; Gaston, R.D.; Tyrrell, J.; Stork, W.D.; Salmon, G.L.,
Formyl cyanide: a stable species. Experimental and theoretical studies,
J. Am. Chem. Soc., 1992, 114, 6, 1933, https://doi.org/10.1021/ja00032a001
. [all data]
Clouthier and Moule, 1987
Clouthier, D.J.; Moule, D.C.,
Spectroscopic identification of formyl cyanide (CHOCN) in the flash pyrolysis of methoxyacetonitrile,
J. Am. Chem. Soc., 1987, 109, 21, 6259, https://doi.org/10.1021/ja00255a006
. [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]
Bogey, Destombes, et al., 1988
Bogey, M.; Destombes, J.L.; Vallee, Y.; Ripoll, J.L.,
Formyl cyanide: Efficient production from allyloxyacetonitrile and its millimeter-wave spectrum,
Chem. Phys. Lett., 1988, 146, 3-4, 227, https://doi.org/10.1016/0009-2614(88)87435-9
. [all data]
Bogey, Demuynck, et al., 1995
Bogey, M.; Demuynck, C.; Destombes, J.L.; Vallee, Yo.; Ripoll, J.L.,
Millimeter-Wave Spectrum of Formyl Cyanide, HCOCN: Centrifugal Distortion and Hyperfine Structure Analysis,
J. Mol. Spectrosc., 1995, 172, 2, 344, https://doi.org/10.1006/jmsp.1995.1183
. [all data]
Notes
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