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Photoelectron-Spectroscopic Characterization of 3,4-Dimethyl-2,4-hexadienes by Evi Honegger; Yang Zhong-zhi; Edgar Heilbronner; William V. E. Doering; John C; Schmidhauser is a Chemistry article available to read on EtoBox.

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## Abstract The He(Ia) photoelectron (PE) spectra of the (__E,E__)‐, (__E,Z__)‐ and (__Z,Z__)‐isomers of the title compound have been recorded to obtain information about their conformation in the gas phase. For a valid correlation with the PE data of other dienes it is necessary to take the potentials __V__(φ) for internal rotation and the corresponding conformer population densities P (φ) into account, as well as the rather complicated way wy in which the π^−1^ ionization energy gap Δ__I__(φ) depends on the direct π‐orbital interaction and the long‐range ‘through‐space’ interaction between the semi‐localized methyl‐group orbitals and the π‐orbitals. These factors being taken into account, the mean twist angles, φ, compatible with the PE‐spectroscopic results are φ (__E,E__) ≈︁ O° ± 30°, φ (__E,Z__) ≈︁ 80° or 110° within ± 15°, and φ (Z,Z) ≈︁ 85° to 105°. These results are in rough agreement with electron diffraction data by __Traetteberg__ [15], other spectroscopic results and, for the (__E, E__)‐ and (Z,Z)‐isomers, internal rotation potentials __V__(φ) previously calculated by __Roth__ [17]. On the other hand the potential __V__ (φ) proposed for the (__E,Z__)‐isomer does not see

Who reads Photoelectron-Spectroscopic Characterization of 3,4-Dimethyl-2,4-hexadienes?

Author

Evi Honegger; Yang Zhong-zhi; Edgar Heilbronner; William V. E. Doering; John C; Schmidhauser

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley-Blackwell; Wiley (ISSN 0018-019X)

Published

1984

Language

EN

Field

Chemistry (Physical Sciences)