Halogen bonds (XBs) have attracted significant attention in many areas of chemistry including supramolecular chemistry, crystal engineering, and catalysis. Although XB interactions have been known for many decades,1 it is only recently that systematic studies have begun to provide both computational and experimental evidence regarding the nature of this type of “non-covalent” interaction.2 Recently, we provided direct experimental evidence of a surprisingly large degree of charge transfer (i.e. bond covalency) in certain charge-assisted halogen bonds.3 Importantly, the degree of charge transfer using a chloride donor was equivalent to that which is observed in first-row transition metal chlorides (~6-9% per bond). This large degree of charge transfer in these weak chemical interactions suggests that electronic properties of systems involving XB interactions should behave very differently from those involving other typical weak interactions (e.g. hydrogen bonds). We will explore systems where the unique properties of XB interactions can be exploited. Examples from medicinal chemistry and solar energy conversion will be explored.

Exploring halogen bonding from fundamental principles to real-world applications

254th National Meeting (2017)

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