Ethene, tetrabromo-
- Formula: C2Br4
- Molecular weight: 343.637
- IUPAC Standard InChIKey: OVRRJBSHBOXFQE-UHFFFAOYSA-N
- CAS Registry Number: 79-28-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Ethylene, tetrabromo-; Tetrabromoethene; Tetrabromoethylene
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Gas phase ion energetics data
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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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.105 | PE | Potts, Novak, et al., 1983 |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
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: D2h Symmetry Number σ = 4
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CC str | 1535 | E | ia | 1547 p | liq. | FR(2ν9) | ||
ag | 1 | CC str | 1535 | E | ia | 1515 p | liq. | FR(2ν9) | ||
ag | 2 | CBr2 s-str | 265 | D | ia | 265 p | liq. | |||
ag | 3 | CBr2 scis | 144 | D | ia | 144 p | liq. | |||
au | 4 | CBr2 twist | 66 | E | ia | ia | ||||
b1g | 5 | CBr2 a-str | 880 | D | ia | 880 dp | liq. | |||
b1g | 6 | CBr2 rock | 208 | D | ia | 208 dp | liq. | |||
b1u | 7 | CBr2 wag | 245 | C | 245 S | liq. | ia | |||
b2g | 8 | CBr2 wag | 464 | D | ia | 464 dp | liq. | |||
b2u | 9 | CBr2 a-str | 766 | C | 766 S | liq. | ia | |||
b2u | 10 | CBr2 rock | 119 | C | 119 M | liq. | ia | |||
b3u | 11 | CBr2 s-str | 635 | C | 635 S | liq. | ia | |||
b3u | 12 | CBr2 scis | 188 | C | 188 M | liq. | ia | |||
Source: Shimanouchi, 1972
Notes
S | Strong |
M | Medium |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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.
Potts, Novak, et al., 1983
Potts, A.W.; Novak, I.; Lyus, M.L.,
The valence shell electronic structure and UV photoelectron spectra of the tetrahaloethylenes,
J. Electron Spectrosc. Relat. Phenom., 1983, 31, 57. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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