Methylcyclopropane

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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
LL - Sharon G. Lias and Joel F. Liebman
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 C4H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.30 ± 0.05EIHolmes and Lossing, 1991LL
9.46EILossing, 1972LLK
9.9 ± 0.2EIMeisels and Giessner, 1971LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4+12.5 ± 0.2?EIMeisels, Park, et al., 1970RDSH
C3H5+11.02CH3EILossing, 1972LLK
C3H5+10.9CH3EIMeisels and Giessner, 1971LLK
C4H7+11.02HEILossing, 1972LLK

De-protonation reactions

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr409.2 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Δr413.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr401.5 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr410.5 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr402.1 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

C4H7- + Hydrogen cation = Methylcyclopropane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr411.0 ± 5.0kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr403.2 ± 5.1kcal/molH-TSGraul and Squires, 1990gas 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.

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [all data]

Meisels and Giessner, 1971
Meisels, G.G.; Giessner, B.G., Threshold behavior and the determination of appearance potentials from second differential ionization efficiencies, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 489. [all data]

Meisels, Park, et al., 1970
Meisels, G.G.; Park, J.Y.; Giessner, B.G., Ionization and dissociation of C4H8 isomers, J. Am. Chem. Soc., 1970, 92, 254. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]


Notes

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