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Propene-d6


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

View reactions leading to C3D6+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
9.76 ± 0.01PIPerson and Nicole, 1970

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:   D3h     Symmetry Number sigma = 6


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

a1' 1 CD2 s-str 2236  C  ia 2236 VS p liq.
a1' 2 CD2 scis 1274  D  ia 1274 S p liq.
a1' 3 Ring str 956  C  ia 956 S p liq.
a1 4 CD2 twist 800  D 800 ia VW gas  ia CF
a2' 5 CD2 wag 870  D 875 ia sln.  ia CF, OC(«nu»5+«nu»11)
a2 6 CD2 a-str 2336  C 2336 VS gas  ia
a2 7 CD2 rock 614  C 614 W gas  ia
e' 8 CD2 s-str 2211  C 2211 VS gas 2204 W dp liq.
e' 9 CD2 scis 1072  C 1072 S gas 1068 W dp liq.
e' 10 CD2 wag 885  C 885 M gas 884 M dp liq.
e' 11 Ring deform 717  C 717 VS gas 721 M dp liq.
e 12 CD2 a-str 2329  C  ia 2329 S p liq.
e 13 CD2 twist 940  E  ia CF, OC(2«nu»13)
e 14 CD2 rock 528  C  ia 528 W dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
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, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Person and Nicole, 1970
Person, J.C.; Nicole, P.P., Isotope effects in the photoionization yields and the absorption cross sections for acetylene, propyne, and propene, J. Chem. Phys., 1970, 53, 1767. [all data]

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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