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Bicyclo[1.1.0]butane

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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

View reactions leading to C4H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.70 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.700 ± 0.005PIPECOBombach, Dannacher, et al., 1983LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3+11.9 ± 0.2C2H3PIBombach, Dannacher, et al., 1983LBLHLM
C3H3+10.1 ± 0.1CH3PIBombach, Dannacher, et al., 1983LBLHLM
C4H4+10.6 ± 0.2H2PIBombach, Dannacher, et al., 1983LBLHLM
C4H5+10.33 ± 0.01HPIBombach, Dannacher, et al., 1983LBLHLM

De-protonation reactions

C4H5- + Hydrogen cation = Bicyclo[1.1.0]butane

By formula: C4H5- + H+ = C4H6

Quantity Value Units Method Reference Comment
Deltar399.2 ± 4.1kcal/molG+TSKass and Chou, 1988gas phase; Acidity between NH3, Me2NH, near nPrNH2.; B
Quantity Value Units Method Reference Comment
Deltar391.0 ± 4.0kcal/molIMRBKass and Chou, 1988gas phase; Acidity between NH3, Me2NH, near nPrNH2.; 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.

Bombach, Dannacher, et al., 1983
Bombach, R.; Dannacher, J.; Stadelmann, J.-P.; Neier, R., Fundamental aspects of ionic dissociations: The fragmentation pathways of excited bicyclobutane cations, Helv. Chim. Acta, 1983, 66, 701. [all data]

Kass and Chou, 1988
Kass, S.R.; Chou, P.K., The Bicyclobutyl Anion: An Alkyl Carbanion, J. Am. Chem. Soc., 1988, 110, 23, 7899, https://doi.org/10.1021/ja00231a063 . [all data]


Notes

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