Abstract
Stereoselectivity has been demonstrated in reactions of various fluorinated compounds, for example, the synthesis of cis- and trans-Ph 2TeF 4, the synthesis of cis- and trans-F 2TePh 3Cl, or selective fluorine exchange of non-equivalent fluorines in mer-Ph 3TeF 3 and cis-F 2TePh 3Cl [1]. To provide additional evidence for some of the postulated reaction mechanisms in these systems we have carried out ab initio SCF calculations of the geometries and binding energies of proposed reaction intermediates with emphasis on trigonal bipyramidal and octahedral intermediates, including PF 5:OH 2 and F 5PF-PF 4.
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