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Propanal, 2,2-dimethyl-

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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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C5H10O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.51 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.000521EFDDesfrancois, Abdoul-Carime, et al., 1994EA: 0.5 meV. Dipole-bound state.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.51PITraeger, 1985LBLHLM
9.50 ± 0.01PEHernandez, Masclet, et al., 1977LLK
9.51 ± 0.01PECocksey, Eland, et al., 1971LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H5O+9.64C2H5PITraeger, 1985LBLHLM

De-protonation reactions

C5H9O- + Hydrogen cation = Propanal, 2,2-dimethyl-

By formula: C5H9O- + H+ = C5H10O

Quantity Value Units Method Reference Comment
Deltar387.4 ± 4.1kcal/molG+TSNoest and Nibbering, 1980gas phase; B
Quantity Value Units Method Reference Comment
Deltar381.0 ± 4.0kcal/molIMRBNoest and Nibbering, 1980gas phase; B

References

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

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

Desfrancois, Abdoul-Carime, et al., 1994
Desfrancois, C.; Abdoul-Carime, H.; Khelifa, N.; Schermann, J.P., Fork 1/r to 1/r2 Potentials: Electron Exchange between Rydberg Atoms and Polar Molecules, Phys. Rev. Lett., 1994, 73, 18, 2436, https://doi.org/10.1103/PhysRevLett.73.2436 . [all data]

Traeger, 1985
Traeger, J.C., Heat of formation for the propanoyl cation by photoionization mass spectrometry, Org. Mass Spectrom., 1985, 20, 223. [all data]

Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G., Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Noest and Nibbering, 1980
Noest, A.J.; Nibbering, N.M.M., Homoconjugation vs. charge dipole stabilization interaction effects in the stabilization of carbanions in the gas phase, J. Am. Chem. Soc., 1980, 102, 6427. [all data]


Notes

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