An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride

Polarization dependent photoelectron spectra encompassing the outer valence orbitals of oxalyl chloride have been recorded in photon energy range 19–91 eV. These allowed anisotropy parameters and branching ratios to be determined. Photoionization partial cross sections calculated with Continuum Multiple Scattering – X? approach. Four are predicted possess a significant Cl 3p lone-pair character closely grouped binding energies. The photoionization dynamics these four strongly affected by Cooper minimum associated orbital isolated atom at energies around 40 A comparison between theoretical measured has enabled molecular sequence clarified. doublet observed region spectrum where band due 5bu might anticipated. Our calculations indicate that 6bu coupled. This coupling may account for apparent lack pronounced ?-parameter nominal ionization unexpected appearance adjacent band, nominally orbital. vertical outermost 7ag was experimentally determined 11.266 ± 0.005