1,2-Propadiene-1,3-dione
- Formula: C3O2
- Molecular weight: 68.0309
- IUPAC Standard InChI: InChI=1S/C3O2/c4-2-1-3-5
- IUPAC Standard InChIKey: GNEVIACKFGQMHB-UHFFFAOYSA-N
- CAS Registry Number: 504-64-3
- 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: Carbon suboxide; Carbon oxide (C3O2); C3O2
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Vibrational and/or electronic energy levels
Go To: Top, 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: Dxh Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σg+ | 1 | CO s-str | 2196 | B | ia | 2196.5 W | gas | |||
| σg+ | 2 | CC s-str | 786 | B | ia | 786.1 W p | gas | |||
| σu+ | 3 | CO a-str | 2258 | B | 2258 S | gas | ||||
| σu+ | 4 | CC a-str | 1573 | B | 1573 S | gas | ||||
| πg | 5 | CCO bend | 573 | C | ia | |||||
| πu | 6 | CCO bend | 550 | B | 550 S | gas | 573.0 W | gas | ||
| πu | 7 | CCC bend | 61 | B | 61 | gas | ||||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| W | Weak |
| ia | Inactive |
| p | Polarized |
| 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.