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Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

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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 C7H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.8PEMartin, Heller, et al., 1974LLK
8.70EIDolejsek, Hanus, et al., 1962RDSH
8.33PEMartin, Heller, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+9.56HEIDolejsek, Hanus, et al., 1962RDSH

De-protonation reactions

C7H7- + Hydrogen cation = Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Deltar1686. ± 4.2kJ/molD-EAGunion, Karney, et al., 1996gas phase; Assignment of 1- and 2- isomers uncertain.; B
Deltar1685.6 ± 3.8kJ/molG+TSLee, DePuy, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar1651.4 ± 3.3kJ/molIMRELee, DePuy, et al., 1996gas phase; B

C7H7- + Hydrogen cation = Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Deltar1685.7 ± 3.8kJ/molG+TSLee, DePuy, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar1651.4 ± 3.3kJ/molIMRELee, DePuy, et al., 1996gas phase; 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.

Martin, Heller, et al., 1974
Martin, H.-D.; Heller, C.; Haselbach, E.; Lanyjova, Z., 49. Quadricyclanes. Part I: Photoelectron spectra and electronic structure, Helv. Chim. Acta, 1974, 57, 465. [all data]

Dolejsek, Hanus, et al., 1962
Dolejsek, Z.; Hanus, V.; Prinzbach, H., Das massenspektrometrische Verhalten von Quadricyclen, Angew. Chem., 1962, 74, 902. [all data]

Gunion, Karney, et al., 1996
Gunion, R.F.; Karney, W.; Wenthold, P.G.; Borden, W.T.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of Some C7H7- Isomers: Quadricyclanide, Norbornadienide, Cycloheptatrienide, and 1,6-Heptadiynide, J. Am. Chem. Soc., 1996, 118, 21, 5074, https://doi.org/10.1021/ja954026f . [all data]

Lee, DePuy, et al., 1996
Lee, H.S.; DePuy, C.H.; Bierbaum, V.M., Reactivity and Thermochemistry of Quadricyclane in the Gas Phase, J. Am. Chem. Soc., 1996, 118, 21, 5068, https://doi.org/10.1021/ja9540278 . [all data]


Notes

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