Ab initio study of XenI− (n = 1-6) clusters

The structures, stabilities and electron affinities of XenI− (n = 1-6) clusters were studied at MP2 theoretical level. In the global minimum energy structures, all the Xe atoms contact the central iodine anion. The electron correlation effects on the geometry and stability is investigated and it stabilizes title clusters. The calculated electron affinities are in good agreement with the experimental results. The Xe6I− has the biggest fragmentation energy and thus it is the most stable species.