Methyl formate-d4


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:   Cs     Symmetry Number σ = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 CD3 d-str 2291  D 2291 M gas
a' 2 CD3 s-str 2100  D 2100 M gas
a' 3 CD str 2210  D 2210 S gas
a' 4 C=O str 1739  E 1749 VS gas FR(2ν16)
a' 4 C=O str 1739  E 1719 VS gas FR(2ν16)
a' 5 CD3 d-deform 1060  E 1060 W gas OV14)
a' 6 CD3 s-deform 1107  D 1107 S gas
a' 7 CD bend 1041  E 1041 W gas
a' 8 C-O str 1203  D 1203 VS gas
a' 9 CD3 rock 974  D 974 M gas
a' 10 O-CD3 str 840  D 840 M gas
a' 11 OCO deform 708  D 708 M gas
a' 12 COC deform 295  E 295 M gas
a 13 CD3 d-str 2267  D 2267 M gas
a 14 CD3 d-deform 1060  D 1060 W gas OV4)
a 15 CD3 rock 908  D 908 M gas
a 16 CD op-bend 870  D 870 W gas
a 17 C-O torsion 280  D 280 M gas
a 18 CD3 torsion 96  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
D6~15 cm-1 uncertainty
E15~30 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

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