Propane-d8


Gas phase ion energetics data

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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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
11.40EILifshitz and Shapiro, 1966

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2D4+11.7 ± 0.1CD4EILifshitz and Shapiro, 1966 
C2D4+11.87CD4EILifshitz and Shapiro, 1966 
C2D5+12.23CD3EILifshitz and Shapiro, 1966 
C3D7+11.74DEILifshitz and Shapiro, 1966 
C3D7+11.6 ± 0.1DEILifshitz and Shapiro, 1966 

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:   C     Symmetry Number σ = 2


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

a1 1 CD3 d-str 2225  C 2225 gas
a1 2 CD3 s-str 2122  C 2122 gas
a1 3 CD2 s-str 2081  C 2081 gas
a1 4 CD3 s-deform 1086  D 1086 gas
a1 5 CD2 scis 1064  D 1064 gas
a1 6 CD3 d-deform 1064  D 1064 gas SF5)
a1 7 CD3 rock 959  C 959 gas
a1 8 CC str 712  C 712 gas
a1 9 CCC deform 332  E CF
a2 10 CD3 d-str 2221  E  ia CF
a2 11 CD3 d-deform 1064  E  ia CF
a2 12 CD2 twist 945  E  ia CF
a2 13 CD3 rock 659  E  ia CF
a2 14 Torsion 143  E  ia OC1422, ν1424 - ?/?)
b1 15 CD3 d-str 2224  C 2224 gas
b1 16 CD3 s-str 2081  C 2081 gas SF3)
b1 17 CC str 1203  C 1203 gas
b1 18 CD3 d-deform 1086  D 1086 gas SF4)
b1 19 CD3 s-deform 1068  D 1068 gas
b1 20 CD2 wag 862  D 862 gas
b1 21 CD3 rock 688  C 688 gas
b2 22 CD3 d-str 2224  C 2224 gas SF15)
b2 23 CD2 a-str 2149  D 2149 gas
b2 24 CD3 d-deform 1064  D 1064 gas SF56)
b2 25 CD3 rock 949  D 949 gas
b2 26 CD2 rock 544  D 544 gas
b2 27 Torsion 172  E OC252721 - ?/?)

Source: Shimanouchi, 1972

Notes

iaInactive
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
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

Go To: Top, Gas phase ion energetics data, 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.

Lifshitz and Shapiro, 1966
Lifshitz, C.; Shapiro, M., Isotope effects on metastable transitions: C3H8 and C3D8, J. Chem. Phys., 1966, 45, 4242. [all data]

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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References