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Cyclobutane, methylene-

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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 compiled as indicated in comments:
B - John E. Bartmess
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 C5H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.19 ± 0.02PEBieri, Burger, et al., 1977LLK
9.14 ± 0.08EIPuttemans and Delvaux, 1973LLK
9.12PEDemeo and Yencha, 1970RDSH
9.16 ± 0.02PIDemeo and El-Sayed, 1970RDSH
9.35PEWiberg, Ellison, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+14.09 ± 0.15C2H4+HEIPuttemans and Delvaux, 1973LLK
C3H4+11.71 ± 0.10C2H4EIPuttemans and Delvaux, 1973LLK
C4H5+11.23 ± 0.08CH3EIPuttemans and Delvaux, 1973LLK
C5H7+10.64 ± 0.10HEIPuttemans and Delvaux, 1973LLK

De-protonation reactions

C5H7- + Hydrogen cation = Cyclobutane, methylene-

By formula: C5H7- + H+ = C5H8

Quantity Value Units Method Reference Comment
Deltar1620. ± 21.kJ/molG+TSGuo and Kass, 1992gas phase; Between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 21.kJ/molIMRBGuo and Kass, 1992gas phase; Between H2O, MeOH; 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.

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Puttemans and Delvaux, 1973
Puttemans, J.-P.; Delvaux, J.C., Ionisation et fragmentation d'isomeres C5H8 sous impact electronique. Spiropentane - methylenecyclobutane - isoprene, Ing. Chim. Brussell, 1973, 55(267-8), 7. [all data]

Demeo and Yencha, 1970
Demeo, D.A.; Yencha, A.J., Photoelectron spectra of bicyclic and exocyclic olefins, J. Chem. Phys., 1970, 53, 4536. [all data]

Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]

Wiberg, Ellison, et al., 1976
Wiberg, K.B.; Ellison, G.B.; Wendoloski, J.J.; Brundle, C.R.; Kuebler, N.A., Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes, J. Am. Chem. Soc., 1976, 98, 7179. [all data]

Guo and Kass, 1992
Guo, H.Z.; Kass, S.R., Vinylcyclopropyl Anion - Structure, Reactivity, Thermodynamic Properties, and an Unusual Rearrangement, J. Am. Chem. Soc., 1992, 114, 4, 1244, https://doi.org/10.1021/ja00030a019 . [all data]


Notes

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