Cyclobutane
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: PMPVIKIVABFJJI-UHFFFAOYSA-N
- CAS Registry Number: 287-23-0
- 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. - Isotopologues:
- Other names: Tetramethylene; UN 2601
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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: 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 | CH2 s-str | 2895 | D | ia | 2916 p | liq. | FR(2ν2,2ν13) | ||
a1 | 1 | CH2 s-str | 2895 | D | ia | 2866 p | liq. | FR(2ν2,2ν13) | ||
a1 | 2 | CH2 scis | 1443 | C | ia | 1443 p | liq. | SF(ν13) | ||
a1 | 3 | Ring str | 1001 | C | ia | 1001 p | liq. | SF(ν14) | ||
a1 | 4 | CH2 a-str | 2975 | E | ia | CF | ||||
a1 | 5 | CH2 rock | 741 | C | ia | 741 dp | liq. | |||
a1 | 6 | Ring puck | 197 | C | ia | 197 | liq. | CF | ||
a2 | 7 | CH2 wag | 1260 | E | ia | ia | CF | |||
a2 | 8 | CH2 twist | 1257 | E | ia | ia | CF | |||
b1 | 9 | CH2 wag | 1219 | C | ia | 1219 dp | liq. | |||
b1 | 10 | Ring deform | 926 | C | ia | 926 dp | liq. | |||
b1 | 11 | CH2 twist | 1222 | E | ia | CF | ||||
b2 | 12 | CH2 s-str | 2893 | E | CF | |||||
b2 | 13 | CH2 scis | 1443 | C | 1443 dp | liq. | SF(ν2) | |||
b2 | 14 | Ring deform | 1001 | D | 1001 p | liq. | SF(ν3) | |||
b2 | 15 | CH2 a-str | 2987 | C | 2987 S | gas | ||||
b2 | 16 | CH2 rock | 627 | C | 627 S | gas | ||||
e | 17 | CH2 a-str | 2952 | C | 2952 | liq. | ||||
e | 18 | CH2 twist | 1223 | C | 1223 W | gas | ||||
e | 19 | CH2 rock | 749 | C | 749 W | gas | ||||
e | 20 | CH2 s-str | 2887 | D | 2897 S | gas | ||||
e | 20 | CH2 s-str | 2887 | D | 2878 S | gas | ||||
e | 21 | CH2 scis | 1447 | C | 1447 S | gas | ||||
e | 22 | CH2 wag | 1257 | C | 1257 S | gas | ||||
e | 23 | Ring deform | 898 | C | 898 S | gas | ||||
Source: Shimanouchi, 1972
Notes
S | Strong |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
CF | Calculated frequency |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
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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