Cyclobutane-d8
- Formula: C4D8
- Molecular weight: 64.1556
- IUPAC Standard InChI: InChI=1S/C4H8/c1-2-4-3-1/h1-4H2/i1D2,2D2,3D2,4D2
- IUPAC Standard InChIKey: PMPVIKIVABFJJI-SVYQBANQSA-N
- CAS Registry Number: 6381-03-9
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
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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: D2d Symmetry Number σ = 4
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CD2 s-str | 2124 | E | ia | CF | ||||
| a1 | 2 | CD2 scis | 1160 | C | ia | 1160 p | liq. | |||
| a1 | 3 | Ring str | 882 | C | ia | 882 p | liq. | |||
| a1 | 4 | CD2 a-str | 2224 | E | ia | CF | ||||
| a1 | 5 | CD2 rock | 632 | E | ia | CF | ||||
| a1 | 6 | Ring puck | 158 | D | ia | RP | ||||
| a2 | 7 | CD2 wag | 1010 | E | ia | ia | CF | |||
| a2 | 8 | CD2 twist | 889 | E | ia | ia | CF | |||
| b1 | 9 | CD2 wag | 1078 | C | ia | 1078 dp | liq. | |||
| b1 | 10 | Ring deform | 746 | C | ia | 746 dp | liq. | |||
| b1 | 11 | CD2 twist | 864 | E | ia | CF | ||||
| b2 | 12 | CD2 s-str | 2115 | E | CF | |||||
| b2 | 13 | CD2 scis | 1040 | D | 1040 dp | liq. | ||||
| b2 | 14 | Ring deform | 938 | D | 938 dp | liq. | SF(ν18) | |||
| b2 | 15 | CD2 a-str | 2242 | C | 2242 S | gas | ||||
| b2 | 16 | CD rock | 483 | C | 483 S | gas | ||||
| e | 17 | CD2 a-str | 2230 | C | 2230 dp | liq. | ||||
| e | 18 | CD2 twist | 938 | D | 938 dp | liq. | SF(ν14) | |||
| e | 19 | CD2 rock | 556 | C | 556 W | gas | ||||
| e | 20 | CD2 s-str | 2103 | E | CF | |||||
| e | 21 | CD2 scis | 1078 | C | 1078 S | gas | ||||
| e | 22 | CD2 wag | 1048 | C | 1048 S | gas | ||||
| e | 23 | Ring deform | 734 | C | 734 S | gas | ||||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| W | Weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| CF | Calculated frequency |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| RP | Frequency determined by the Ritz principle. |
| 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 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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