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2-Butanone

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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

Trans form     Symmetry:   Cs     Symmetry Number sigma = 1


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

a' 1 CH3(1) d-str 2983  D 2983 S liq. 2983 M liq. OV(«nu»2,«nu»21,«nu»22)
a' 2 CH3(4) d-str 2983  D 2983 S liq. 2983 M liq. OV(«nu»1,«nu»21,«nu»22)
a' 3 CH3(1) s-str 2910  D 2910 S liq. 2924 S p liq. OV(«nu»4)
a' 4 CH3(4) s-str 2910  D 2910 S liq. 2924 S p liq. OV(«nu»3)
a' 5 CH2 s-str 2884  D 2884 S liq.
a' 6 CO str 1716  C 1716 S sln. 1715 M p liq.
a' 7 CH3(4) d-deform 1460  D 1460 M sln. 1450 M liq. OV(«nu»24)
a' 8 CH2 scis 1422  C 1422 S sln. 1419 M liq.
a' 9 CH3(1) d-deform 1413  D 1413 S sln. OV(«nu»25)
a' 10 CH3(4) s-deform 1373  C 1373 S sln.
a' 11 CH3(1) s-deform 1346  C 1346 S sln. 1345 W liq.
a' 12 CH2 wag 1263  D 1263 W sln. 1258 W liq. OV(«nu»26)
a' 13 CC(12) str 1182  C 1182 S sln. 1169 W liq.
a' 14 CH3(4) rock 1089  C 1089 M sln. 1087 M p liq.
a' 15 CC(34) str 997  C 997 sln. 999 W liq.
a' 16 CH3(1) rock 939  C 939 sln. 751 W liq.
a' 17 CC(23) str 760  D 760 S liq. 760 M p liq.
a' 18 CO ip-bend 590  C 590 S sln. 591 W liq.
a' 19 CCC(123) deform 413  C 413 S sln. 410 W liq.
a' 20 CCC(234) deform 260  C 260 S sln. 264 W liq.
a 21 CH3(1) d-str 2983  D 2983 S liq. 2983 liq. OV(«nu»1,«nu»2,«nu»22)
a 22 CH3(4) d-str 2983  D 2983 S liq. 2983 liq. OV(«nu»1,«nu»2,«nu»21)
a 23 CH2 d-str 2941  D 2941 S liq.
a 24 CH3(4) d-deform 1460  D 1460 M sln. 1450 M liq. OV(«nu»7)
a 25 CH3(1) d-deform 1413  D 1413 S sln. OV(«nu»9)
a 26 CH2 twist 1263  D 1263 W sln. 1258 W liq. OV(«nu»12)
a 27 CH3(4) rock 1108  C 1108 W sln.
a 28 CH3(1) rock 952  C 952 sh sln. 951 W liq.
a 29 CH2 rock 768  D 768 S liq.
a 30 CO op-bend 460  C 460 VW sln.
a 31 CC(34) torsion 201  E CF
a 32 CC(12) torsion 106  E CF
a 33 CC(23) torsion 87  C 87 W sln.

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
shShoulder
pPolarized
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
C3~6 cm-1 uncertainty
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

Go To: Top, Vibrational and/or electronic energy levels, References