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.
|Number of pages||4|
|Journal||Journal of Physical Chemistry A|
|Publication status||Published - 08 May 1997|