1,3,5-Hexatriene, (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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.30 ± 0.02PEAllan, Dannacher, et al., 1980LLK
8.29 ± 0.02PEBieri, Burger, et al., 1977LLK
8.27SGavin and Rice, 1974LLK
8.29PEBeez, Bieri, et al., 1973LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+14.65 ± 0.10C2H2+CH3?EIFranklin and Carroll, 1969RDSH
C6H7+9.95HPIPECOLias and Ausloos, 1985LBLHLM

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.

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(π-1) states, studied by emission photoelectron-photoion coincidence spectroscopy, J. Chem. Phys., 1980, 73, 3114. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Gavin and Rice, 1974
Gavin, R.M., Jr.; Rice, S.A., Spectroscopic properties of polyenes. II. The vacuum ultraviolet spectra of cis- and trans-1,3,5-hexatriene, J. Chem. Phys., 1974, 60, 3231. [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 π-orbitals and non-bonded pseudo-π orbitals of methyl groups?, Helv. Chim. Acta, 1973, 56, 1028. [all data]

Franklin and Carroll, 1969
Franklin, J.L.; Carroll, S.R., Effect of molecular structure on ionic decomposition. II. An electron-impact study of 1,3-and 1,4-cyclohexadiene and 1,3,5-hexatriene, J. Am. Chem. Soc., 1969, 91, 6564. [all data]

Lias and Ausloos, 1985
Lias, S.G.; Ausloos, P., Structures of C6H7+ ions formed in unimolecular and bimolecular reactions, J. Chem. Phys., 1985, 82, 3613. [all data]


Notes

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