HCOCN
- Formula: C2HNO
- Molecular weight: 55.0354
- CAS Registry Number: 4471-47-0
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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: 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, 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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