K-shell photoionization of CO: I. Angular distributions of photoelectrons from fixed-in-space molecules

Abstract

Angular distributions of photoelectrons from both C and O K-shells of the fixed-in-space CO molecule have been measured using the angle-resolved photoelectron-photoion coincidence technique. The measurements have been performed at several photon energies from the ionization thresholds up to about 30 eV above them, where the σ* shape resonances occur. Experimental results are compared with the multiple-scattering calculations of Dill et al (1976 J. Chem. Phys. 65 3158) and with our new calculations in the relaxed-core Hartree-Fock approximation. Our calculations are in a better agreement with the experimental data though numerical discrepancies remain. The experimental angular distributions are fitted by the expansion in Legendre polynomials containing up to ten terms and the extracted parameters are compared with the corresponding theoretical values.