Bromine thiocyanate
- Formula: CBrNS
- Molecular weight: 137.986
- IUPAC Standard InChI: InChI=1S/CBrNS/c2-4-1-3
- IUPAC Standard InChIKey: UCJNSDRFYWDOPD-UHFFFAOYSA-N
- CAS Registry Number: 29284-59-1
- 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, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 10.26 ± 0.02 | PE | Frost, MacDonald, et al., 1981 |
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 | |
|---|---|---|---|---|---|---|---|
| 1 | CN stretch | 2145.1 | w m | gas | IR | DeVore, 1987 | |
| 2 | CS stretch | 674.2 | m s | gas | IR | DeVore, 1987 | |
| 3 | BrS stretch | 455.8 | m | gas | IR | DeVore, 1987 | |
Additional references: Jacox, 1994, page 199; Jemson, Lewis-Bevan, et al., 1987
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.
Frost, MacDonald, et al., 1981
Frost, D.C.; MacDonald, C.B.; McDowell, C.A.; Westwood, N.P.C.,
Preparation and HeI photoelectron spectra of the halogen thiocyanates, XSCN (X = Cl and Br),
J. Am. Chem. Soc., 1981, 103, 4423. [all data]
DeVore, 1987
DeVore, T.C.,
The infrared spectra of the halogen isocyanate and thiocyanate vapor molecules,
J. Mol. Struct., 1987, 162, 3-4, 287, https://doi.org/10.1016/0022-2860(87)87060-6
. [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]
Jemson, Lewis-Bevan, et al., 1987
Jemson, H.M.; Lewis-Bevan, W.; Gerry, M.C.L.,
The microwave spectrum and structure of bromine thiocyanate, BrSCN,
Can. J. Chem., 1987, 65, 10, 2478, https://doi.org/10.1139/v87-414
. [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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