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The He I photoelectron spectra of certain MeEHal2 and Me2EHal compounds (E = (N), P, As, Sb; Hal = (F), Cl, Br, J; Me = CH3) are interpreted in terms of a “composite molecule” approach derived for C3vCs systems. Although an “internal standard” is missing here, substituent group-orbitals (nHal, C—H) may be classified with respect to their orientations in space (R, V, T). Ionisation energies are assigned according to this assumption.
PE data of the isoelectronic EMe3/EHal3 compounds and of related molecules (Me2EH, MePH2, CF3PBr2) as well as EHMO calculations with partial inclusion of spin orbit coupling are used to confirm the assignments given for Me2EHal/MeEHal2 series.
Correlations between PE ionisation energies (e.g. nE (IE)) and molecular or atomic properties are critically revised and discussed.
Photoelectron (PE) spectra of ethylene and vinylene carbonates and thiocarbonates as well as of methylene trithiocarbonate and some open-chain derivatives are reported.
The low energy bands, well separated in the unsaturated compounds, are assigned to lone pair and π type ionizations. The assignment is based on comparison of PE spectra, modified CNDO calculations, and sulfur Κβ emission spectra. The pronounced substituent effects due to which the first ionization potential varies from 8.4 eV to 11.1 eV are discussed.