Ab initio probing of the aromatic oxygen cluster O4(2+) |
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Authors: | Elliott Ben M Boldyrev Alexander I |
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Affiliation: | Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322, USA. |
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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. |
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