(Dicyclohexyl(2-(dimesitylboryl)phenyl)phosphine: en route to stable frustrated Lewis pairs-hydrogen adducts in water

摘要

The new ansa-phosphinoborane (dicyclohexyl(2-(dimesitylboryl)phenyl)phosphine was synthesized via an one-pot protocol in 67% yield. The compound has been characterized by 1H, 13C, 11B and 31P NMR, and its solid-state structure determined by a single crystal X-ray diffraction analysis. The ansa-phosphinoborane does not react with molecular hydrogen or water at room or elevated temperature. According to performed DFT studies, heterolytic splitting of water or hydrogen by the phosphinoborane are both endergonic but close in thermodynamics. In polar solvents, such as in methanol or acetonitrile, addition of hydrogen is energetically more favorable than of water.