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Boatz JA, Christe KO, Dixon DA, et al. Synthesis, characterization, and computational study of the trans-IO2F5(2-) anion. Inorg Chem. 2003;42(17):5282-92doi: 10.1021/ic034457w.
Boatz, J. A., Christe, K. O., Dixon, D. A., Fir, B. A., Gerken, M., Gnann, R. Z., Mercier, H. P., & Schrobilgen, G. J. (2003). Synthesis, characterization, and computational study of the trans-IO2F5(2-) anion. Inorganic chemistry, 42(17), 5282-92. https://doi.org/10.1021/ic034457w
Boatz, Jerry A, et al. "Synthesis, characterization, and computational study of the trans-IO2F5(2-) anion." Inorganic chemistry vol. 42,17 (2003): 5282-92. doi: https://doi.org/10.1021/ic034457w
Boatz JA, Christe KO, Dixon DA, Fir BA, Gerken M, Gnann RZ, Mercier HP, Schrobilgen GJ. Synthesis, characterization, and computational study of the trans-IO2F5(2-) anion. Inorg Chem. 2003 Aug 25;42(17):5282-92. doi: 10.1021/ic034457w. PMID: 12924900.
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Inorg Chem. 2003 Aug 25;42(17):5282-92. doi: 10.1021/ic034457w.

Synthesis, characterization, and computational study of the trans-IO2F5(2-) anion.

Inorganic chemistry

Jerry A Boatz, Karl O Christe, David A Dixon, Barbara A Fir, Michael Gerken, Robert Z Gnann, Hélène P A Mercier, Gary J Schrobilgen

Affiliations

  1. Loker Hydrocarbon Research Institute, University of Southern California, University Park, Los Angeles, California 90089, USA.

PMID: 12924900 DOI: 10.1021/ic034457w

Abstract

The combination of CH(3)CN solutions of [N(CH(3))(4)][F] and a mixture of cis- and trans-[N(CH(3))(4)][IO(2)F(4)] produces the novel trans-IO(2)F(5)(2)(-) anion. Under the given conditions, only the trans-IO(2)F(4)(-) anion acts as a fluoride ion acceptor, thus allowing the separation of isomerically pure, soluble cis-IO(2)F(4)(-) from insoluble trans-IO(2)F(5)(2)(-). The trans-IO(2)F(5)(2)(-) and cis-IO(2)F(4)(-) anions were characterized by infrared and Raman spectroscopy and theoretical calculations at the LDFT and HF levels of theory. The trans-IO(2)F(5)(2)(-) anion has a pentagonal-bipyramidal geometry with the two oxygen atoms occupying the axial positions. It represents the first example of a heptacoordinated main group AO(2)X(5) species and completes the series of pentagonal-bipyramidal iodine fluoride and oxide fluoride species. The geometries of the pentagonal-bipyramidal series IO(2)F(5)(2)(-), IOF(5)(2)(-), IF(5)(2)(-), IOF(6)(-), IF(6)(-), and IF(7) and the corresponding octahedral series IO(2)F(4)(-), IOF(4)(-), IF(4)(-), IOF(5), IF(5), and IF(6)(+) were calculated by identical methods. It is shown how the ionic charge, the oxidation state of the iodine atom, the coordination number, and the replacement of fluorine ligands by either an oxygen ligand or a free valence electron pair influence the stuctures and bonding of these species.

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