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Propanenitrile

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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:   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 d-str 3001  C 3001 VS liq. 2999 S liq. OV(«nu»14)
a' 2 CH2 s-str 2955  C 2955 VS liq. 2949 VS p liq.
a' 3 CH3 s-str 2900  C 2900 S liq. 2898 S p liq.
a' 4 CN str 2254  C 2254 VS liq. 2251 VS p liq.
a' 5 CH3 d-deform 1465  C 1465 S liq. 1466 VS p liq. SF(«nu»16)
a' 6 CH2 scis 1433  C 1433 S liq. 1436 M p liq.
a' 7 CH3 s-deform 1387  C 1387 M liq. 1374 VW p liq.
a' 8 CH2 wag 1319  C 1319 M liq. 1322 W p liq.
a' 9 C-CN str 1077  C 1077 S liq. 1078 M p liq.
a' 10 CC str 1005  C 1005 M liq. 1010 S p liq.
a' 11 CH3 rock 836  C 836 W liq. 838 S p liq.
a' 12 CCC deform 545  C 545 M liq. 548 M p liq.
a' 13 CCN bend 226  C 226 M liq. 226 M p liq.
a 14 CH3 d-str 3001  C 3001 VS liq. 2999 S liq. OV(«nu»1)
a 15 CH2 a-str 2849  C 2849 S liq. 2850 M liq.
a 16 CH3 d-deform 1465  C 1465 S liq. 1466 VS dp liq. SF(«nu»5)
a 17 CH2 twist 1256  C 1256 VW liq. 1270 VW dp liq.
a 18 CH3 rock 1022  E CF
a 19 CH2 rock 786  C 786 M liq. 784 VW dp liq.
a 20 CCN bend 378  C 378 M liq. 378 M dp liq.
a 21 Torsion 222  C MW

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
pPolarized
dpDepolarized
CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
MWTorsional Frequency calculated from microwave spectroscopic data.
C3~6 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