[2H4]ethylene

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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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2D4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.528 ± 0.001eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.5286 ± 0.0006LSWilliams and Cool, 1991LL
10.526 ± 0.007PECarlier and Botter, 1979LLK
10.528 ± 0.002TEStockbauer and Inghram, 1975LLK
10.528 ± 0.003TEStockbauer and Inghram, 1975, 2LLK
15.83 ± 0.02PEBranton, Frost, et al., 1970RDSH
14.45 ± 0.02PEBranton, Frost, et al., 1970RDSH
18.90 ± 0.02PEBranton, Frost, et al., 1970RDSH
10.52 ± 0.02PEBranton, Frost, et al., 1970RDSH
12.48 ± 0.02PEBranton, Frost, et al., 1970RDSH
10.52 ± 0.03SPrice and Tutte, 1940RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CD2+18.13 ± 0.07CD2TEStockbauer and Inghram, 1975, 2LLK
C2D2+13.24 ± 0.01D2TEStockbauer and Inghram, 1975, 2LLK
C2D3+13.41 ± 0.02DTEStockbauer and Inghram, 1975, 2LLK

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:   D2h     Symmetry Number σ = 4


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

ag 1 CD2 s-str 2251  C  ia 2251 VS liq.
ag 2 CC str 1515  C  ia 1515 VS liq.
ag 3 CD2 scis 981  C  ia 981 M liq.
au 4 CD2 twist 728  E  ia  ia CF
b1g 5 CD2 a-str 2304  C  ia 2304 W liq.
b1g 6 CD2 rock 1009  E  ia OC610)
b1u 7 CD2 wag 720  B 720.0 VS gas  ia
b2g 8 CD2 wag 780  C  ia 780 W liq.
b2u 9 CD a-str 2345  C 2345 S gas  ia
b2u 10 CD2 rock 586  E  ia CF. From product rule.
b3u 11 CD2 a-str 2200  C 2200.2 S gas  ia
b3u 12 CD2 scis 1078  C 1077.9 S gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
iaInactive
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
B1~3 cm-1 uncertainty
C3~6 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.

Williams and Cool, 1991
Williams, B.A.; Cool, T.A., Two-photon spectroscopy of Rydberg states of jet-cooled C2H4 and C2D4, J. Am. Chem. Soc., 1991, 94, 6358. [all data]

Carlier and Botter, 1979
Carlier, J.; Botter, R., Photoelectron spectra of ethylene of the six deuterated derivatives, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 91. [all data]

Stockbauer and Inghram, 1975
Stockbauer, R.; Inghram, M.G., Vibrational structure in the ground state of ethylene ethylene-d4 molecular ions investigated by threshold photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 492. [all data]

Stockbauer and Inghram, 1975, 2
Stockbauer, R.; Inghram, M.G., Threshold photoelectron-photoion coincidence mass spectrometric study of ethylene and ethylene-d4, J. Chem. Phys., 1975, 62, 4862. [all data]

Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; Makita, T.; McDowell, C.A.; Stenhouse, I.A., Photoelectron spectra of ethylene and ethylene-d4, J. Chem. Phys., 1970, 52, 802. [all data]

Price and Tutte, 1940
Price, W.C.; Tutte, W.T., The absorption spectra of ethylene, deutero-ethylene and some alkyl-substituted ethylenes in the vacuum ultra-violet, Proc. Roy. Soc. (London), 1940, A174, 207. [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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