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, NIST Free Links, 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
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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, NIST Free Links, 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, NIST Free Links, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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