Hexacarbonylchromium(O) (Cr(12C16O)6)
- Formula: 12C6Cr16O6
- Molecular weight: 219.9656
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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: Oh Symmetry Number σ = 24
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1g | 1 | CO str | 2112 | C | ia | 2112.4 M | solid solid | |||
| a1g | 2 | CrC str | 381 | C | ia | 381.2 S | solid solid | |||
| eg | 3 | CO str | 2018 | C | ia | 2018.4 M | solid solid | |||
| eg | 4 | CrC str | 394 | D | ia | 394 W | solid solid | |||
| f1g | 5 | CrCO bend | 364 | D | ia | ia | OC(ν5+ν7) | |||
| f1u | 6 | CO str | 2000 | B | 2000.4 VS | gas | ia | |||
| f1u | 7 | CrC str | 668 | B | 668.1 VS | gas | ia | |||
| f1u | 8 | CrCO bend | 441 | B | 440.5 S | gas | ia | |||
| f1u | 9 | CCrC deform | 98 | B | 97.8 M | gas | ia | |||
| f2g | 10 | CrCO bend | 436 | D | ia | 436.4 | liq. | |||
| f2g | 11 | CCrC deform | 95 | D | ia | 94.8 S | liq. | |||
| f2u | 12 | CrCO bend | 511 | D | ia | ia | OC(ν10+ν12,ν5+ν12) | |||
| f2u | 13 | CCrC deform | 68 | E | ia | ia | OC(ν3+ν13) | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| ia | Inactive |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 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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