Aluminum Zintl anion moieties within sodium aluminum clusters

Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium–aluminum cluster anions, Na m Al n −, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectrawere measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stickspectra), and fragment molecular orbital based correlation diagrams