Thiazyl bromide
- Formula: BrNS
- Molecular weight: 125.976
- IUPAC Standard InChI: InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H
- IUPAC Standard InChIKey: RXNZFHIEDZEUQM-UHFFFAOYSA-N
- CAS Registry Number: 52509-85-0
- 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 | Comment |
|---|---|---|---|
| 10.2 | PE | Allaf, Matti, et al., 1989 | |
| 10.45 | PE | Allaf, Matti, et al., 1989 | Vertical value |
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 | |
|---|---|---|---|---|---|---|---|
| a' | 1 | SN stretch | 1313 | m | Ar | IR | Peake and Downs, 1974 |
| 2 | Bend | 226 | w m | Ar | IR | Peake and Downs, 1974 | |
| 3 | SBr stretch | 346 | s | Ar | IR | Peake and Downs, 1974 | |
Additional references: Jacox, 1994, page 104; Allaf, Matti, et al., 1989
Notes
| w | Weak |
| m | Medium |
| s | Strong |
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.
Allaf, Matti, et al., 1989
Allaf, A.W.; Matti, G.Y.; Suffolk, R.J.; Watts, J.D.,
Spectroscopic studies of thiazyl bromide, NSBr,
J. Electron Spectrosc. Relat. Phenom., 1989, 48, 411. [all data]
Peake and Downs, 1974
Peake, S.C.; Downs, A.J.,
J. Chem. Soc., 1974, Dalton Trans., 859. [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]
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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