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

Author:
Sorochkina, Kristina, Chernichenko, Konstantin, Nieger, Martin, Leskelä, Markku, Repo, Timo
Source:
Zeitschrift für Naturforschung 2017 v.72 no.11 pp. 903-908
ISSN:
1865-7117
Subject:
acetonitrile, heterolytic cleavage, hydrogen, methanol, nuclear magnetic resonance spectroscopy, phosphine, solvents, stable isotopes, synthesis, temperature, thermodynamics
Abstract:
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.
Agid:
5851446