thionyl dibromide
- Formula: Br2OS
- Molecular weight: 207.872
- IUPAC Standard InChI: InChI=1S/Br2OS/c1-4(2)3
- IUPAC Standard InChIKey: HFRXJVQOXRXOPP-UHFFFAOYSA-N
- CAS Registry Number: 507-16-4
- 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. - Other names: Thionyl bromide
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.54 | PE | Bock and Solouki, 1974 | Vertical value; LLK |
| 10.63 | PE | Mines, Thomas, et al., 1972 | Vertical value; LLK |
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 | SO str | 1121 | D | 1121 p | gas | ||||
| a' | 2 | SBr s-str | 405 | D | 405 p | liq. | ||||
| a' | 3 | OSBr deform | 267 | D | 267 p | liq. | ||||
| a' | 4 | SBr2 scis | 120 | D | 120 p | liq. | ||||
| a | 5 | SBr2 a-str | 379 | D | 379 dp | liq. | ||||
| a | 6 | OSBr deform | 223 | D | 223 dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| p | Polarized |
| dp | Depolarized |
| 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.
Bock and Solouki, 1974
Bock, H.; Solouki, B.,
Photoelektronenspektren und molekuleigenschaften, XXXV. Sulfoxide X2SO - beispiele fur den nutzen von korrelations - diagrammen bei der diskussion von substituenteneffekten und von geometrischen storungen,
Chem. Ber., 1974, 107, 2299. [all data]
Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H.,
Photoelectron spectra of compounds containing thionyl and sulphuryl groups,
Proc. R. Soc. London A:, 1972, 329, 275. [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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