Reactivities, Conformational Properties, and Molecular Structures of σ-Bonded Cyclic Selenurane Dications
Tsukasa Nakahodo, Ohgi Takahashi, Ernst Horn, Naomichi Furukawa
Abstract
Tsukasa Nakahodo, Ohgi Takahashi, Ernst Horn, Naomichi Furukawa
Abstract
Abstruct: The synthesis of σ-selenurane dication salts via transannular interactions and the reactivities of these dication salts are described. The X-ray crystallographic analyses of the dication salts show that the dications have selenium atoms in a trigonal-bipyramidal bonding environment. Ab initio calculations carried out for the dication revealed that the selenium atoms exclusively carry the positive charge. The interesting conformational properties of these dications are also described.
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Abstruct: The synthesis of σ-selenurane dication salts via transannular interactions and the reactivities of these dication salts are described. The X-ray crystallographic analyses of the dication salts show that the dications have selenium atoms in a trigonal-bipyramidal bonding environment. Ab initio calculations carried out for the dication revealed that the selenium atoms exclusively carry the positive charge. The interesting conformational properties of these dications are also described.
Key concepts: Dication, Chemistry, Trigonal bipyramidal molecular geometry, Crystallography, Ab initio, Selenium, Ab initio quantum chemistry methods, Computational chemistry