Iodopropadiene
- Formula: C3H3I
- Molecular weight: 165.9604
- IUPAC Standard InChI: InChI=1S/C3H3I/c1-2-3-4/h3H,1H2
- IUPAC Standard InChIKey: PVSOUHUQNFPYTI-UHFFFAOYSA-N
- 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: 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 | CH str | 3070 | C | 3070 M | gas | 3057 M | liq. | OV(ν11) | |
| a' | 2 | CCC a-str | 1953 | C | 1953 M | gas | 1947 VS | liq. | ||
| a' | 3 | CH2 s-str | 3004 | C | 3004 W | gas | 2978 VS | liq. | ||
| a' | 4 | CH2 scis | 1425 | B | 1425 M | gas | 1412 VS | liq. | ||
| a' | 5 | CH bend | 1178 | C | 1178 VS | gas | 1174 S p | liq. | ||
| a' | 6 | CCC s-str | 1076 | C | 1076 M | gas | 1076 VS p | liq. | ||
| a' | 7 | CH2 wag | 854 | C | 854 S | gas | ||||
| a' | 8 | CCC deform | 625 | C | 625 S | gas | 635 W | liq. | ||
| a' | 9 | CI str | 609 | C | 609 S | gas | ||||
| a' | 10 | CCI deform | 387 | C | 387 S p | liq. | ||||
| a | 11 | CH2 a-str | 3070 | C | 3070 M | gas | 3057 M | liq. | OV(ν1) | |
| a | 12 | CH2 rock | 995 | B | 995 W | gas | ||||
| a | 13 | CH bend | 807 | B | 807 S | gas | ||||
| a | 14 | CCC deform | 485 | B | 485 W | gas | ||||
| a | 15 | CCI deform | 154 | C | 154 W | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| p | Polarized |
| OV | Overlapped by band indicated in parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 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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