Thiazyl chloride
- Formula: ClNS
- Molecular weight: 81.525
- IUPAC Standard InChI: InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H
- IUPAC Standard InChIKey: KLEYVGWAORGTIT-UHFFFAOYSA-N
- CAS Registry Number: 17178-58-4
- 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 | Comment |
|---|---|---|---|
| 10.61 ± 0.01 | PE | DeKock, Shehfeh, et al., 1976 | |
| 10.96 | PE | Cowan, Gleiter, et al., 1972 | 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: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | NS str | 1325 | C | 1325 | gas | ||||
| a' | 2 | SCl str | 414 | C | 414 | gas | ||||
| a' | 3 | Bend | 273 | D | OC(ν2+ν3,2ν3) | |||||
Source: Shimanouchi, 1972
Notes
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
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.
DeKock, Shehfeh, et al., 1976
DeKock, R.L.; Shehfeh, M.A.; Lloyd, D.R.; Roberts, P.J.,
Ultraviolet photoelectron spectra of thiazyl chloride,
J. Chem. Soc. Faraday Trans. 2, 1976, 72, 807. [all data]
Cowan, Gleiter, et al., 1972
Cowan, D.O.; Gleiter, R.; Glemser, O.; Heilbronner, E.,
The photoelectron spectra of NSCl, NSF NSF3,
Helv. Chim. Acta, 1972, 55, 2418. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [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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