3 years ago![Selective synthesis of the [2-B10H9I]2− anion and some theoretical aspects of its iodination process](/image/eyJ1cmkiOiJodHRwOi8vc3RhY2thZGVtaWMuaGVyb2t1YXBwLmNvbS9pbWFnZT9pbWFnZV9pZD00NjQyNiIsImZvcm1hdCI6IndlYnAiLCJxdWFsaXR5IjoxMDAsIndpZHRoIjo1MTIsIm5vQ2FjaGUiOnRydWV9.webp)
Selective synthesis of the [2-B10H9I]2− anion and some theoretical aspects of its iodination process
![Selective synthesis of the [2-B10H9I]2− anion and some theoretical aspects of its iodination process](/image/eyJ1cmkiOiJodHRwOi8vc3RhY2thZGVtaWMuaGVyb2t1YXBwLmNvbS9pbWFnZT9pbWFnZV9pZD00NjQyNiIsImZvcm1hdCI6IndlYnAiLCJxdWFsaXR5IjoxMDAsIndpZHRoIjo1MTIsIm5vQ2FjaGUiOnRydWV9.webp)
New approaches to the selective synthesis of the [2-B10 H9 I]− anion have been reported based on careful control of the reaction medium acidity. The mechanism of the iodination was proposed and the regioselectivity of electrophilic substitution of the [B10 H10 ]2− anion was explained based on B3LYP-calculations of the potential energy surface of the system using the mixed basis 6-31G∗/LanL2DZ. The obtained compounds were characterized by IR and NMR (1H and 11B) spectroscopy, together with ESI-MS-spectrometry. The crystal structures of (PPh4 )2 [2-B10 H9 I] and {(PPh4 )2 [2-B10 H9 I]·2C4 H8 O2 } were determined by X-ray diffraction.
Publisher URL: www.sciencedirect.com/science
DOI: S027753871730637X
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