[1-2H1]acetaldehyde


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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
10.21PIJochims, Lohr, et al., 1978

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CDO+11.95?PIJochims, Lohr, et al., 1978 
CHO+12.67?PIJochims, Lohr, et al., 1978 
CH2D+14.18?PIJochims, Lohr, et al., 1978 
CH3+14.26?PIJochims, Lohr, et al., 1978 
CH3D+12.76?PIJochims, Lohr, et al., 1978 
C2H3O+10.92DPIJochims, Lohr, et al., 1978 

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 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 3028  C 3028 M gas 2998 liq.
a' 2 CH3 s-str 2917  D 2917 liq.
a' 3 CD str 2071  C 2071 W gas 2097 liq.
a' 4 CO str 1743  C 1743 VS gas 1702 liq.
a' 5 CH3 d-deform 1442  C 1442 S gas 1426 liq.
a' 6 CD bend 1109  C 1109 S gas 1111 liq.
a' 7 CD3 s-deform 1353  C 1353 S gas 1343 liq.
a' 8 CC str 1043  C 1043 W gas 1080 liq.
a' 9 CH3 rock 849  C 849 M gas 858 liq.
a' 10 CCO deform 500  C 500 S gas 505 liq.
a 11 CH3 d-str 2970  C 2970 M gas 2965 liq.
a 12 CH3 d-deform 1420  C 1420 S gas 1426 liq.
a 13 CH3 rock 802  C 802 W gas 820 liq.
a 14 CD bend 668  C 668 W gas 674 liq.
a 15 Torsion 145  D 145 gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
C3~6 cm-1 uncertainty
D6~15 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.

Jochims, Lohr, et al., 1978
Jochims, H.-W.; Lohr, W.; Baumgartel, H., Photoionization mass spectrometry studies of deuterated acetaldehydes CH3CDO and CD3CHO, Chem. Phys. Lett., 1978, 54, 594. [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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