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- W1567502740 abstract "Abstract The applicability of the cyclopropane Walsh orbital model to a series of tris-σ-homobenzenes is investigated by means of photoelectron (PE) spectroscopy and molecular orbital (MO) theory, with particular emphasis on an understanding of the conformational dependence of the conjugative interaction between Walsh orbitais of linked 3-membered rings. The shifts of the first three PE bands in the series diademane ( 1 ), trans -pentacyclo[3.3.2.0 2.9 .0 4.10 .0 6.8 ]decane ( 2 ), trans -tris-σ-homobenzene ( 3 ) and its 3,3,6,6,9,9-hexamethyl derivative ( 4 ) are well described in terms of a “Linear Combination of Walsh Orbitals” (LCWO) model, provided “radially” oriented contributions to the cyclopropane Walsh orbitais are included. The results imply that the highest occupied MO in 2,3 and 4 is localized in the s-cis-bicyclopropyl fragment of these species." @default.
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- W1567502740 date "1979-10-30" @default.
- W1567502740 modified "2023-10-17" @default.
- W1567502740 title "ChemInform Abstract: LINEAR COMBINATION OF WALSH ORBITALS IN TRIS-Σ-HOMOBENZENES. PHOTOELECTRON SPECTROSCOPY AND MODEL CALCULATIONS" @default.
- W1567502740 cites W3127041437 @default.
- W1567502740 doi "https://doi.org/10.1002/chin.197944041" @default.
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