He I and He II photoelectron spectra (UPS) of isomeric mono-and bis(ethynyl)furans were recorded. The assignment of spectra was based on empirical considerations (bandwidths, He II/He I intensity variations, comparison with spectra of related molecules) and ab initio calculations. The details of orbital interactions between the ring and ethynyl π orbitals were deduced solely on the basis of experimental data. These interactions were studied for several classes of π isoelectronic molecules.
He I and He II photoelectron spectra (ultraviolet photoemission spectroscopy) of one of the smallest chiral molecules, CHClBrI, were recorded and analyzed on the basis of empirical arguments and density functional theory calculations. We had previously suggested that investigations into the possible phenomenon of circular dichroism in gas phase photoionization be made. This work reports a necessary study of the electronic structure of one of the prime candidates for such studies, the CHClBrI molecule. Its molecular and electronic structure and orbital interactions are discussed in the light of these experimental and theoretical results.
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