Ozonic acid and its ionic salts: ab initio probing of the O(4)(2)(-) dianion.
The pyramidal O(4)(2)(-) dianion is valence isoelectronic to the well-known ClO(3)(-) and SO(3)(2)(-) anions, and yet it has not been observed. The synthesis of any molecule containing such a dianion would represent a major breakthrough in making molecules containing more than three covalently bound oxygen atoms. We found that the parent H(2)O(4) ozonic acid is unstable in the form of the valence isoelectronic sulfurous acid H(2)SO(3). Our quantum chemical probing of the Li(2)O(4) ionic salt molecule is inconclusive. However, we found that the specially designed FLi(3)O(4) gas phase molecule is a true metastable species and could be considered as the first molecule containing the O(4)(2)(-) dianion. Our theoretical prediction of the first compound containing the tetraatomic covalently bound O(4)(2)(-) dianion opens the possibility to even more oxygen rich compounds, which will have a great potential as high density oxygen storage.
Elliott
Ben M
BM
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322-0300, USA.
Boldyrev
Alexander I
AI