Correlation states of propene

Abstract

Articles you may be interested inEffect of electron correlation and shape resonance on photoionization from the S1 and S2 states of pyrazine Zero kinetic energy photoelectron spectroscopy of jet cooled benzo[a]pyrene from resonantly enhanced multiphoton ionization Valence and inner-valence shell dissociative photoionization of CO in the 26-33 eV range. I. Ion-electron kinetic energy correlation and laboratory frame photoemission High resolution synchrotron photoelectron spectra ͑PES͒ of propene (C 3 H 6 ) have been obtained at several photon energies ͑40-70 eV͒. The full valence shell binding energy spectrum reveals a well resolved correlation ͑satellite͒ peak at 20.3 eV and the photon energy dependence study of its photoionization cross section indicates that this new correlation peak is a ''dynamic'' correlation peak. MRSDCI calculations of the theoretical spectrum show semi-quantitative agreement between experiment and theory in terms of binding energies and intensities. A comparison of the full valence shell photoelectron spectra of ethylene, propene, 1-butene and 1,2-propadiene ͑allene͒ is also presented to illustrate trends in the correlation peaks of model alkenes.

Investigation of valence orbitals of propene by electron momentum spectroscopy

“…9 This will be discussed in a later section. All the molecular orbitals are either AЈ or AЉ symmetry.…”

“…The angle resolved binding energy spectra is shown in Fig. 9. Just with a glance, one can immediately know the characteristics of each orbital.…”

“…9 The angleresolved high energy resolution PES can determine orbital assignments by ␤ parameter. Although PES has a much higher energy resolution, for instance, FWHM of He I better than 30 meV, the PES experiment cannot, by itself, decide the relative ordering of the primary ionization energies.…”

“…According to earlier He I and He II PES, 6,7 the ordering was 9aЈ Ͻ 1aЉ Ͻ 8aЈ Ͻ 7aЈ, while more recently Bawagan et al 9 found them to 9aЈ Ͻ 8aЈ Ͻ 1aЉ Ͻ 7aЈ. According to earlier He I and He II PES, 6,7 the ordering was 9aЈ Ͻ 1aЉ Ͻ 8aЈ Ͻ 7aЈ, while more recently Bawagan et al 9 found them to 9aЈ Ͻ 8aЈ Ͻ 1aЉ Ͻ 7aЈ.…”

“…Electron momentum spectroscopy ͑EMS͒ can provide a direct imaging of the electron density for each individual orbital in momentum space. [6][7][8][9] However, to the best of our knowledge, no electron momentum spectroscopic study on this molecule has ever been reported. EMS has been shown to be a powerful and informative experimental tool for study of the electronic structure of atoms, molecules, biomolecules, and condensed matter.…”