Propane-1,1,1-d3

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:   C2     Symmetry Number σ = 1
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a' 1 CH3 d-str 2966  C 2966 gas
a' 2 CH3 s-str 2934  D 2934 gas
a' 3 CH2 s-str 2882  C 2882 gas
a' 4 CD3 d-str 2225  C 2225 gas
a' 5 CD3 s-str 2075  C 2075 gas
a' 6 CH2 scis 1461  D 1461 gas
a' 7 CH3 d-deform 1460  D 1460 gas
a' 8 CH3 s-deform 1383  C 1383 gas
a' 9 CH2 wag 1332  C 1332 gas
a' 10 CC str 1132  C 1132 gas
a' 11 CH3 rock 1101  C 1101 gas
a' 12 CD3 d-deform 1062  C 1062 gas
a' 13 CD3 s-deform 999  D 999 gas
a' 14 CC str 846  C 846 gas
a' 15 CD3 rock 750  C 750 gas
a' 16 CCC deform 339  E CF
a 17 CH3 d-str 2966  C 2966 gas SF(ν1)
a 18 CD2 a-str 2935  C 2935 gas
a 19 CD3 d-str 2214  C 2214 gas
a 20 CH3 d-deform 1461  D 1461 gas SF(ν6)
a 21 CH2 twist 1285  D 1285 gas
a 22 CH3 rock 1129  C 1129 gas
a 23 CD3 d-deform 1063  C 1063 gas
a 24 CH2 rock 831  C 831 gas
a 25 CD3 rock 660  C 660 gas
a 26 CH3 torsion 216  E CF ( ?/?)
a 27 CD3 torsion 161  E CF ( ?/?)

Source: Shimanouchi, 1972

Notes

CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 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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