Extensive study on the C 1s photoionization of CS ₂ 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 CS ₂. It has been found that the σ shape resonance at about 15 eV above the C 1s ionization threshold appears only in the dipole amplitude d _fσ. 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 CS ₂ molecules with heavy atoms (sulfur) having 3p valence orbitals, which distinguish the present work from well-studied works such as on CO and CO ₂ molecules.