Bromoformonitrile oxide
- Formula: CBrNO
- Molecular weight: 121.921
- IUPAC Standard InChI: InChI=1S/CBrNO/c2-1-3-4
- IUPAC Standard InChIKey: OPEBOTYCWHBJJL-UHFFFAOYSA-N
- CAS Registry Number: 74213-25-5
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, 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 and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 10.05 | PE | Pasinszki and Westwood, 1995 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, 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: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| CNO a-stretch | 2211 | gas | IR | Pasinszki and Westwood, 1995 | |||
| CNO a-stretch | 2271.3 | Ar | IR | Maier and Teles, 1987 | |||
| CNO a-stretch | 2252.5 | Ar | IR | Maier and Teles, 1987 | |||
| CNO s-stretch | 1321 | gas | IR | Pasinszki and Westwood, 1995 | |||
| CNO s-stretch | 1305.6 | Ar | IR | Maier and Teles, 1987 | |||
Additional references: Jacox, 1994, page 199; Jacox, 1998, page 253; Jacox, 2003, page 233; Lichau, Gillies, et al., 2001
References
Go To: Top, Gas phase ion energetics data, 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.
Pasinszki and Westwood, 1995
Pasinszki, T.; Westwood, N.P.C.,
Gas-phase generation of the unstable BrCNO molecule and its stable dibromofuroxan dimer. HeI photoelectron, photoionization mass spectroscopy, mid-infrared, and ab initio studies,
J. Phys. Chem., 1995, 99, 6401. [all data]
Maier and Teles, 1987
Maier, G.; Teles, J.H.,
Isolierung und Photoisomerisierung von einfach substituierten Nitriloxiden,
Angew. Chem., 1987, 99, 2, 152, https://doi.org/10.1002/ange.19870990221
. [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]
Lichau, Gillies, et al., 2001
Lichau, H.; Gillies, C.W.; Gillies, J.Z.; Ross, S.C.; Winnewisser, B.P.; Winnewisser, M.,
On the Anharmonic XCN Bending Modes of the Quasilinear Molecules BrCNO and ClCNO,
J. Phys. Chem. A, 2001, 105, 44, 10065, https://doi.org/10.1021/jp012067u
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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