Methane, tribromofluoro-
- Formula: CBr3F
- Molecular weight: 270.721
- IUPAC Standard InChI: InChI=1S/CBr3F/c2-1(3,4)5
- IUPAC Standard InChIKey: IHZAEIHJPNTART-UHFFFAOYSA-N
- CAS Registry Number: 353-54-8
- 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: Tribromofluoromethane; CFBr3; Fluorotribromomethane
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.67 ± 0.01 | PE | Chau and McDowell, 1975 | LLK |
| 10.67 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
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: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CF str | 1069 | D | 1069 p | liq. | ||||
| a1 | 2 | CBr3 s-str | 398 | D | 398 p | liq. | ||||
| a1 | 3 | CBr3 s-deform | 218 | D | 218 p | liq. | ||||
| e | 4 | CBr3 s-str | 743 | D | 743 dp | liq. | ||||
| e | 5 | CF bend | 306 | D | 306 dp | liq. | ||||
| e | 6 | CBr3 d-deform | 150 | D | 150 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.
Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of fluorotribromomethane and fluorotrichloromethane,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 357. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [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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