UNICHEM and electron momentum spectroscopy investigation into the valence electronic structure of trans 1, 3 butadiene

M T Michalewicz, D A Winkler, M J Brunger, I E McCarthy, W Von Niessen

Research output: Chapter in Book/Report/Conference proceedingChapter (Book)Other


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.
Original languageEnglish
Title of host publicationElectronic Density Functional Theory
Subtitle of host publicationRecent Progress and New Directions
EditorsJohn F. Dobson, Giovanni Vignale, Mukunda P Das
Place of PublicationNew York NY USA
Number of pages2
ISBN (Electronic)9781489903167
ISBN (Print)9781489903181
Publication statusPublished - 1998
Externally publishedYes

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