1-Propyne, 1-bromo-3,3,3-trifluoro-
- Formula: C3BrF3
- Molecular weight: 172.931
- IUPAC Standard InChI: InChI=1S/C3BrF3/c4-2-1-3(5,6)7
- IUPAC Standard InChIKey: AJZDHGUIYOQGDJ-UHFFFAOYSA-N
- CAS Registry Number: 819-01-2
- Chemical structure:
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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: 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 | C≡C str | 2243 | C | 2243 S | gas | 2236 M p | liq. | ||
| a1 | 2 | CF3 s-str | 1275 | C | 1275 VS | gas | 1267 W | liq. | ||
| a1 | 3 | C-C str | 883 | C | 883 S | gas | 879 S p | liq. | ||
| a1 | 4 | CBr str | 687 | C | 687 S | gas | 684 M p | liq. | ||
| a1 | 5 | CF3 s-deform | 285 | D | 285 M | gas | 292 VS | liq. | ||
| e | 6 | CF3 d-str | 1176 | C | 1176 VS | gas | 1155 W b | liq. | ||
| e | 7 | CF3 d-deform | 607 | C | 607 M | gas | 606 W | liq. | ||
| e | 8 | CF3 rock | 455 | D | 455 VW | gas | 452 S | liq. | ||
| e | 9 | CCCBr deform | 278 | D | 278 VW sh | gas | ||||
| e | 10 | CCCBr deform | 90 | D | 90 VS dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| b | Broad |
| sh | Shoulder |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, 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.
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, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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