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1,3,5-Heptatriene, (E,E)-

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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 C7H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.96 ± 0.02PEAllan, Dannacher, et al., 1980LLK
8.07PEBeez, Bieri, et al., 1973LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+12.3 ± 0.15?PEAllan, Dannacher, et al., 1980LLK
C7H7+12.2 ± 0.15?PEAllan, Dannacher, et al., 1980LLK
C7H8+12.4 ± 0.15?PEAllan, Dannacher, et al., 1980LLK

De-protonation reactions

C7H9- + Hydrogen cation = 1,3,5-Heptatriene, (E,E)-

By formula: C7H9- + H+ = C7H10

Quantity Value Units Method Reference Comment
Deltar364.8 ± 3.1kcal/molD-EAZimmerman, Gygax, et al., 1978gas phase; Acid: 1,3,5-heptatriene; B
Quantity Value Units Method Reference Comment
Deltar358.5 ± 3.4kcal/molH-TSZimmerman, Gygax, et al., 1978gas phase; Acid: 1,3,5-heptatriene; 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.

Allan, Dannacher, et al., 1980
Allan, M.; Dannacher, J.; Maier, J.P., Radiative and fragmentation decay of the cations of trans- and cis 1,3,5-hexatriene of all trans-1,3,5-heptatriene in the A(«pi»-1) states, studied by emission photoelectron-photoion coincidence spectroscopy, J. Chem. Phys., 1980, 73, 3114. [all data]

Beez, Bieri, et al., 1973
Beez, M.; Bieri, G.; Bock, H.; Heilbronner, E., The ionization potentials of butadiene, hexatriene, andtheir methyl derivatives: evidence for through space interaction between double bond «pi»-orbitals and non-bonded pseudo-«pi» orbitals of methyl groups?, Helv. Chim. Acta, 1973, 56, 1028. [all data]

Zimmerman, Gygax, et al., 1978
Zimmerman, A.H.; Gygax, R.; Brauman, J.I., Electron photodetachment spectroscopy of polyene anions. Electron affinities of pentadienyl and heptatrienyl radicals, J. Am. Chem. Soc., 1978, 100, 5595. [all data]


Notes

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