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1,6-Heptadiyne

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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

View reactions leading to C7H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.85 ± 0.01PETraeger and McLoughlin, 1978LLK
9.85 ± 0.01PITraeger and McLoughlin, 1978LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+9.85 ± 0.01HPITraeger and McLoughlin, 1978LLK

De-protonation reactions

C7H7- + Hydrogen cation = 1,6-Heptadiyne

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Deltar1575. ± 21.kJ/molD-EAGunion, Karney, 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.

Traeger and McLoughlin, 1978
Traeger, J.C.; McLoughlin, R.G., A photoionization study of the energetics of C7H7+ ion formed from C7H8 precursors, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 319. [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]


Notes

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