Diborane (10B2H6)


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 2537  C  ia 2537 VS gas
ag 2 Ring str 2110  C  ia 2110 S gas
ag 3 BH2 scis 1186  C  ia 1186 M gas
ag 4 Ring deform 816  C  ia 816 S gas
au 5 BH2 twist 833  C 833.1 ia VW gas  ia Observed very weakly & confirmed by combination bands
b1g 6 Ring str 1768  C  ia 1768 W gas
b1g 7 BH2 wag 850  E  ia OC710)
b1u 8 BH2 a-str 2625  C 2625 VS gas  ia
b1u 9 BH2 rock 955  E  ia CF
b1u 10 Ring puck 368  C 368 S gas  ia
b2g 11 BH2 a-str 2640  E  ia 2640 W b gas
b2g 12 BH2 rock 930  E  ia OC1012)
b2u 13 Ring str 1920  E 1882 M gas  ia FR915)
b2u 13 Ring str 1920  E 1992 W gas  ia FR915)
b2u 14 BH2 wag 977  C 977 S gas  ia
b3g 15 BH2 twist 1012  E  ia CF()Estimated from ν15 of ν11B2H6
b3u 16 BH2 s-str 2528  C 2528 VS gas  ia
b3u 17 Ring deform 1606  C 1606 VS gas  ia
b3u 18 BH2 scis 1181  C 1181 VS gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
bBroad
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

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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

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