Cyclopropane
- Formula: C3H6
- Molecular weight: 42.0797
- IUPAC Standard InChI: InChI=1S/C3H6/c1-2-3-1/h1-3H2
- IUPAC Standard InChIKey: LVZWSLJZHVFIQJ-UHFFFAOYSA-N
- CAS Registry Number: 75-19-4
- 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: Trimethylene; Trimethylene (cyclic); UN 1027; Cyclopropnane
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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: D3h Symmetry Number σ = 6
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1' | 1 | CH2 s-str | 3038 | C | ia | 3038 S p | gas | |||
| a1' | 2 | CH2 scis | 1479 | D | ia | 1504 W p | gas | FR(2ν14) | ||
| a1' | 2 | CH2 scis | 1479 | D | ia | 1453 W p | gas | FR(2ν14) | ||
| a1' | 3 | Ring str | 1188 | C | ia | 1188 S p | gas | |||
| a1 | 4 | CH2 twist | 1126 | D | 1126 ia VW | gas | 1133 ia | gas | ||
| a2' | 5 | CH2 wag | 1070 | D | 1075 ia | sln. | ia | OC(ν5+ν10) | ||
| a2 | 6 | CH2 a-str | 3103 | C | 3103 S | gas | ia | |||
| a2 | 7 | CH2 rock | 854 | C | 854 S | gas | ia | |||
| e' | 8 | CH2 s-str | 3025 | C | 3025 VS | gas | 3020 VS p | gas | ||
| e' | 9 | CH2 scis | 1438 | C | 1438 M | gas | 1442 M dp | gas | ||
| e' | 10 | CH2 wag | 1029 | C | 1029 S | gas | 1023 VW | liq. | ||
| e' | 11 | Ring deform | 866 | C | 866 VS | gas | 866 S dp | gas | ||
| e | 12 | CH2 a-str | 3082 | C | ia | 3082 S dp | gas | |||
| e | 13 | CH2 twist | 1188 | C | ia | 1188 M dp | gas | |||
| e | 14 | CH2 rock | 739 | C | ia | 739 W dp | gas | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| 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, 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 I, National Bureau of Standards, 1972, 1-160. [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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