title: Ab initio probing of the aromatic oxygen cluster O4(2+).
abstract: The structure of the O(4)(2+) dication has been studied theoretically using a few conventional theoretical methods. We found the O(4)(2+) dication to be a metastable species with a perfect square structure. The molecular orbital analysis reveals that this dication is the first all-oxygen aromatic system with 6pi electrons. Although the O(4)(2+) dication is highly thermodynamically unstable, we believe that appropriate counteranions with very high electron detachment energy (superhalogens) can be found to form a solid-state compound containing O(4)(2+). Another way to probe the planar aromatic tetra oxygen dication could be a double-photoionization process of the (O(2))(2) dimer.
authors.affiliation: Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322, USA.
authors.forename: Ben M
authors.initials: BM
authors.lastname: Elliott
authors.forename: Alexander I
authors.initials: AI
authors.lastname: Boldyrev