Electron momentum spectroscopy of [1.1.1]propellane

• Published in: Chemical physics letters Vol. 244; no. 5; pp. 433 - 439
• Main Authors: Adcock, W., Brunger, M.J., Clark, C.I., McCarthy, I.E., Weigold, E., Michalewicz, M.T., Winkler, D.A., von Niessen, W.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 13.10.1995
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/0009-2614(95)00962-4

The first complete valence shell electron separation energy spectra are measured for [1.1.1]propellane by electron momentum spectroscopy at a total energy of 1000 eV. Momentum densities (cross sections) are obtained at two well-separated momenta, one close to zero ( p ≈ 0.16 au), the other at p ≈ 0.77 au, to highlight respectively the s and p symmetries of the valence orbitals. Many-body calculations of the separation energies and spectroscopic factors using Green function methods are carried out and compared with the present data in order to interpret and understand the measured separation energy spectra.