Bromoformonitrile oxide
- Formula: CBrNO
- Molecular weight: 121.921
- IUPAC Standard InChIKey: OPEBOTYCWHBJJL-UHFFFAOYSA-N
- CAS Registry Number: 74213-25-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.