Organic and Inorganic Chemistry 2018 Application of Halogen Bonding to Organocatalysis A Theoretical Perspective - Richard M W Wong- National University of Singapore

摘要

The strong, specific, and directional halogen bond (XB) is anideal supramolecular synthon in crystal engineering, as well asrational catalyst and drug design. These attributes attractedstrong growing interest in halogen bonding in the past decadeand led to a wide range of applications in materials, biological,and catalysis applications. Recently, various research groupsexploited the XB mode of activation in designing halogen‐based Lewis acids in effecting organic transformation, and thereis continual growth in this promising area. In addition to therapid advancements in methodology development,computational investigations are well suited for mechanisticunderstanding, rational XB catalyst design, and the study ofintermediates that are unstable when observed experimentally.In this review, we highlight recent computational studies of XBorganocatalytic reactions, which provide valuable insights intothe XB mode of activation, competing reaction pathways,effects of solvent and counter ions, and design of novel XBcatalysts.