Anion Photoelectron Spectroscopy and Ab Initio Studies\nof the UF<sup>–</sup> Anion

A synergistic\nanion photoelectron spectroscopic and <i>ab\ninitio</i> computational study of photodetachment of UF<sup>–</sup> is reported. The measurement determined a vertical detachment energy\nof 0.63(03) eV, which is consistent with a spinor-based relativistic\ncoupled-cluster CCSD(T) value of 0.61 eV. The complex spectral features\ndue to excited electronic states and vibrational progressions of UF\nare analyzed and assigned with the help of spin–orbit-coupled\nmultireference perturbation theory and spinor-based relativistic coupled-cluster\ncalculations. UF and UF<sup>–</sup> are confirmed to be dominated\nby ionic bonding. The usefulness of the spinor CCSD(T) approach is\ndemonstrated.