Acetaldehyde, hydroxy-

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Reaction thermochemistry 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: John E. Bartmess

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Individual Reactions

C2H3O2- + Hydrogen cation = Acetaldehyde, hydroxy-

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Δr>367.0 ± 2.0kcal/molIMRBDawson and Nibbering, 1980gas phase; G3MP2B3 calculations put dGacid ca. 353 kcal/mol

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 as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C2H4O2+ (ion structure unspecified)

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O+10.86 ± 0.05HCOEIHolmes and Lossing, 1984LBLHLM
CH4O+[CH2OH2+]10.42 ± 0.05COEIHolmes, Lossing, et al., 1982LBLHLM

De-protonation reactions

C2H3O2- + Hydrogen cation = Acetaldehyde, hydroxy-

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Δr>367.0 ± 2.0kcal/molIMRBDawson and Nibbering, 1980gas phase; G3MP2B3 calculations put dGacid ca. 353 kcal/mol; B

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.

Dawson and Nibbering, 1980
Dawson, J.H.J.; Nibbering, N.M.M., The gas phase anionic chemistry of saturated and unsaturated aliphatic nitriles, Int. J. Mass Spectrom. Ion Phys., 1980, 33, 3. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes, J. Am. Chem. Soc., 1982, 104, 2931. [all data]


Notes

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