3 years ago

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
New approaches to the selective synthesis of the [2-B10H9I] 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 [B10H10]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-B10H9I] and {(PPh4)2[2-B10H9I]·2C4H8O2} were determined by X-ray diffraction.

Publisher URL: www.sciencedirect.com/science

DOI: S027753871730637X

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