CH2NO2
- Formula: CH2NO2
- Molecular weight: 60.0321
- IUPAC Standard InChI: InChI=1S/CH2NO2/c1-2(3)4/h1H2
- IUPAC Standard InChIKey: VUHWIBLKRDNZSP-UHFFFAOYSA-N
- CAS Registry Number: 16787-85-2
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, 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: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Td | gas | 240 | 270 | Cyr, Leahy, et al., 1993 | |||
State: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Td = 34500 | Ar | Jacox, 1983 | |||||
State: 2A2
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 12840 ± 80 | gas | Metz, Cyr, et al., 1991 | |||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 3 | NO2 s-stretch | 1444 ± 25 | gas | PE | Metz, Cyr, et al., 1991 | |
| 4 | CN stretch ? | 936 ± 25 | gas | PE | Metz, Cyr, et al., 1991 | ||
| 5 | NO2 scissors | 605 ± 25 | gas | PE | Metz, Cyr, et al., 1991 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | CH2 s-stretch | 3055 | w H | Ar | IR | Jacox, 1983 Jacox, 1987 |
| 2 | CH2 scissors | 1419 | w m H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| 3 | NO2 s-stretch | 1300 ± 25 | gas | PE | Metz, Cyr, et al., 1991 | ||
| 3 | NO2 s-stretch | 1297 | s H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| 4 | CN stretch | 954 ± 25 | gas | PE | Metz, Cyr, et al., 1991 | ||
| 4 | CN stretch | 986 | w m H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| 5 | NO2 scissors | 693 | m H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| a2 | 6 | Torsion | 205 | H | gas | PE | Metz, Cyr, et al., 1991 |
| b1 | 7 | CNO2 OPLA | 719 | s H | Ar | IR | Jacox, 1983 Jacox, 1987 |
| 8 | H2CN OPLA | 606 | s H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| b2 | 9 | CH2 a-stretch | 3200 | w m H | Ar | IR | Jacox, 1983 Jacox, 1987 |
| 10 | NO2 a-stretch | 1484 | vs H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| 10 | NO2 a-stretch | 1461 | vs H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| 11 | CH2 rock | 1095 | s H | Ar | IR | Jacox, 1983 Jacox, 1987 | |
| 12 | NO2 rock | 484 | T | Ar | IR | Jacox, 1983 Jacox, 1987 | |
Additional references: Jacox, 1994, page 331; Jacox, 1998, page 316
Notes
| w | Weak |
| m | Medium |
| s | Strong |
| vs | Very strong |
| H | (1/2)(2ν) |
| T | Tentative assignment or approximate value |
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
| d | Photodissociation threshold |
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.
Cyr, Leahy, et al., 1993
Cyr, D.R.; Leahy, D.J.; Osborn, D.L.; Continetti, R.E.; Neumark, D.M.,
Fast beam photodissociation of the CH2NO2 radical,
J. Chem. Phys., 1993, 99, 11, 8751, https://doi.org/10.1063/1.465597
. [all data]
Jacox, 1983
Jacox, M.E.,
Reaction of fluorine atoms with nitromethane. Vibrational spectra of the addition complex and of the nitromethyl free radical,
J. Phys. Chem., 1983, 87, 16, 3126, https://doi.org/10.1021/j100239a034
. [all data]
Metz, Cyr, et al., 1991
Metz, R.B.; Cyr, D.R.; Neumark, D.M.,
Study of the 2B1 and 2A2 States of CH2NO2 via Ultraviolet Photoelectron Spectroscopy of the CH2NO2- Anion,
J. Phys. Chem., 1991, 95, 7, 2900, https://doi.org/10.1021/j100160a047
. [all data]
Jacox, 1987
Jacox, M.E.,
Analysis of the vibrational spectrum of the nitromethyl free radical,
J. Phys. Chem., 1987, 91, 19, 5038, https://doi.org/10.1021/j100303a030
. [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]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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