The experimental (e,2e) coincidence spectroscopy, known as electron momentum spectroscopy (EMS), was applied to the trans 1,3 butadiene (C4H6) molecule with detailed binding energy spectra and orbital momentum distributions (MDs) being measured. A small selection of this data is presented. We also report on the utilisation of UniChem computational chemistry codes and the Flinders developed AMOLD program,which together allow us to calculate theoretical MDs for each orbital, to help elucidate the valence electronic structure of butadiene.
|Title of host publication||Electronic Density Functional Theory|
|Subtitle of host publication||Recent Progress and New Directions|
|Editors||John F. Dobson, Giovanni Vignale, Mukunda P Das|
|Place of Publication||New York NY USA|
|Number of pages||2|
|Publication status||Published - 1998|