Extensive study on the C 1s photoionization of CS2 molecules by multi-coincidence velocity-map imaging spectrometry

With the full use of the experimental data obtained by multi- coincidence velocity- map imaging spectrometry, we have determined the dipole amplitudes and their relative phases that describe the C 1s photoionization dynamics in CS2. It has been found that the sigma shape resonance at about 15 eV above the C 1s ionization threshold appears only in the dipole amplitude d(f sigma). We have also carried out time- dependent density functional theory calculations so as to better understand the photoemission dynamics and shape resonances in the C 1s photoionization of CS2 molecules with heavy atoms ( sulfur) having 3p valence orbitals, which distinguish the present work from well- studied works such as on CO and CO2 molecules.