Diborane (11B2H6)
- Formula: 11B2H6
- Molecular weight: 28.06625
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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: D2h Symmetry Number σ = 4
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| ag | 1 | BH2 s-str | 2524 | C | ia | 2524 p | liq. | |||
| ag | 2 | Ring str | 2104 | C | ia | 2104 p | liq. | |||
| ag | 3 | BH2 scis | 1180 | C | ia | 1180 | liq. | |||
| ag | 4 | Ring deform | 794 | C | ia | 794 p | liq. | |||
| au | 5 | BH2 twist | 833 | C | 833.1 ia VW | gas | ia | Observed very weakly & confirmed by combination bands | ||
| b1g | 6 | Ring str | 1768 | E | ia | 1788 dp | liq. | FR(ν5+ν9) | ||
| b1g | 6 | Ring str | 1768 | E | ia | 1747 dp | liq. | FR(ν5+ν9) | ||
| b1g | 7 | BH2 wag | 850 | E | ia | OC(ν7+ν10) | ||||
| b1u | 8 | BH2 a-str | 2612 | C | 2612 VS | gas | ia | |||
| b1u | 9 | BH2 rock | 950 | E | ia | ? | ||||
| b1u | 10 | Ring puck | 368 | C | 368 S | gas | ia | |||
| b2g | 11 | BH2 a-str | 2591 | C | ia | 2591 dp | liq. | |||
| b2g | 12 | BH2 rock | 915 | E | ia | OC(ν10+ν12) | ||||
| b2u | 13 | Ring str | 1915 | E | 1887 M | gas | ia | |||
| b2u | 13 | Ring str | 1915 | E | 1999 W | gas | ia | |||
| b2u | 14 | BH2 wag | 973 | C | 973 S | gas | ia | |||
| b3g | 15 | BH2 twist | 1012 | C | ia | 1012 dp | ||||
| b3u | 16 | BH2 s-str | 2525 | C | 2525 VS | ia | ||||
| b3u | 17 | Ring deform | 1602 | C | 1602 VS | ia | ||||
| b3u | 18 | BH2 scis | 1177 | C | 1177 VS | ia | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| C | 3~6 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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