CH2=C=NH
- Formula: C2H3N
- Molecular weight: 41.0519
- CAS Registry Number: 17619-22-6
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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: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 38900 | gas | Callear and Lee, 1968 | |||||
Doughty, Bacskay, et al., 1994 | |||||||
To = 38790 | Ar | Jacox, 1979 | |||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 32840 | gas | A-X | 273 | 317 | Callear and Lee, 1968 | ||
Doughty, Bacskay, et al., 1994 | |||||||
To = 32680 | Ar | A-X | 273 | 306 | Jacox, 1979 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 990 | Ar | AB | Jacox, 1979 | |||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 3 | CCN a-stretch | 2043.58 | gas | IR | Ito, Nakanaga, et al., 1990 | |
3 | CCN a-stretch | 2040 | vs | Ar | IR | Jacox and Milligan, 1963 Jacox, 1979 | |
5 | Mixed | 1124 | w m | Ar | IR | Jacox and Milligan, 1963 Jacox, 1979 | |
6 | NH deform. | 1000.24 | gas | IR | Ito and Nakanaga, 2010 Bane, Robertson, et al., 2011 | ||
6 | NH deform. | 1000 | s | Ar | IR | Jacox and Milligan, 1963 Jacox, 1979 | |
7 | CH2 wag | 692.85 | gas | IR | Bane, Robertson, et al., 2011, 2 Bane, Robertson, et al., 2011 | ||
7 | H2CC OPLA | 690 | m | Ar | IR | Jacox and Milligan, 1963 Jacox, 1979 | |
8 | CCN bend | 466.45 | gas | IR | Bane, Thompson, et al., 2011 Bane, Robertson, et al., 2011, 2 | ||
a | 10 | CH2 rock | 983.13 | gas | IR | Bane, Robertson, et al., 2011 | |
11 | Torsion | 872 | m | Ar | IR | Jacox and Milligan, 1963 Jacox, 1979 | |
12 | CCN bend | 409.04 | gas | IR | Bane, Thompson, et al., 2011 Bane, Robertson, et al., 2011, 2 | ||
Additional references: Jacox, 1994, page 316; Jacox, 1998, page 312; Hopkinson, Lien, et al., 1977; Rodler, Brown, et al., 1984; Rodler, Brown, et al., 1986
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very 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.
Callear and Lee, 1968
Callear, A.B.; Lee, H.K.,
Electronic spectra of the free allyl radical and some of its simple derivatives,
Trans. Faraday Soc., 1968, 64, 308, https://doi.org/10.1039/tf9686400308
. [all data]
Doughty, Bacskay, et al., 1994
Doughty, A.; Bacskay, G.B.; Mackie, J.C.,
Experimental and ab Initio Theoretical Study of the Kinetics of Rearrangement of Ketene Imine to Acetonitrile,
J. Phys. Chem., 1994, 98, 51, 13546, https://doi.org/10.1021/j100102a020
. [all data]
Jacox, 1979
Jacox, M.E.,
Matrix isolation study of the interaction of excited argon atoms with methyl cyanide, vibrational and electronic spectra of ketenimine,
Chem. Phys., 1979, 43, 2, 157, https://doi.org/10.1016/0301-0104(79)85184-8
. [all data]
Ito, Nakanaga, et al., 1990
Ito, F.; Nakanaga, T.; Sugawara, K.; Takeo, H.; Sugie, M.; Matsumura, C.; Hamada, Y.,
Observation of the high-resolution infrared spectrum of the ν4 band of ketenimine, CH2CNH,
J. Mol. Spectrosc., 1990, 140, 1, 177, https://doi.org/10.1016/0022-2852(90)90016-J
. [all data]
Jacox and Milligan, 1963
Jacox, M.E.; Milligan, D.E.,
J. Am. Chem. Soc., 1963, 85, 3, 278, https://doi.org/10.1021/ja00886a006
. [all data]
Ito and Nakanaga, 2010
Ito, F.; Nakanaga, T.,
Observation of the high-resolution spectrum of the N--H bending vibration of ketenimine CH2CNH,
J. Mol. Spectrosc., 2010, 264, 2, 100, https://doi.org/10.1016/j.jms.2010.09.012
. [all data]
Bane, Robertson, et al., 2011
Bane, M.K.; Robertson, E.G.; Thompson, C.D.; Appadoo, D.R.T.; McNaughton, D.,
High-resolution Fourier-transform infrared spectroscopy of the ν6 and Coriolis perturbation allowed ν10 modes of ketenimine,
J. Chem. Phys., 2011, 135, 22, 224306, https://doi.org/10.1063/1.3664624
. [all data]
Bane, Robertson, et al., 2011, 2
Bane, M.K.; Robertson, E.G.; Thompson, C.D.; Medcraft, C.; Appadoo, D.R.T.; McNaughton, D.,
High-resolution Fourier-transform infrared spectroscopy of the Coriolis coupled ground state and ν7 mode of ketenimine,
J. Chem. Phys., 2011, 134, 23, 234306, https://doi.org/10.1063/1.3597775
. [all data]
Bane, Thompson, et al., 2011
Bane, M.K.; Thompson, C.D.; Robertson, E.G.; Appadoo, D.R.T.; McNaughton, D.,
High-resolution FTIR spectroscopy of the ν8 and Coriolis perturbation allowed ν12 bands of ketenimine,
Phys. Chem. Chem. Phys., 2011, 13, 15, 6793, https://doi.org/10.1039/c0cp01816c
. [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]
Hopkinson, Lien, et al., 1977
Hopkinson, A.C.; Lien, M.H.; Yates, K.; Mezey, P.G.; Csizmadia, I.G.,
A nonempirical molecular orbital study on the acidity of the carbon--hydrogen bond,
J. Chem. Phys., 1977, 67, 2, 517, https://doi.org/10.1063/1.434907
. [all data]
Rodler, Brown, et al., 1984
Rodler, M.; Brown, R.D.; Godfrey, P.D.; Tack, L.M.,
Generation, microwave spectrum and dipole moment of ketenimine,
Chem. Phys. Lett., 1984, 110, 5, 447, https://doi.org/10.1016/0009-2614(84)87068-2
. [all data]
Rodler, Brown, et al., 1986
Rodler, M.; Brown, R.D.; Godfrey, P.D.; Kleibomer, B.,
The rotation-inversion spectrum of ketenimine, H2C«58875»C«58875»NH,
J. Mol. Spectrosc., 1986, 118, 1, 267, https://doi.org/10.1016/0022-2852(86)90240-7
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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