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1.3 Crystallographic Studies

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X‐ray crystallography has been critical to establishing the field of halogen bonding and remains an integral part of modern analyses. Solid‐state investigations often complement solution studies and provide perspective for the following chapters. For example, crystallography can reveal the atomic positioning of the atoms involved in a halogen bond. In fact, crystal structures will be presented in the ensuing chapters as they often reveal likely solution binding modes or binding stoichiometry. From a crystal engineering standpoint, the linearity of the halogen bond favors predictable structure directing contacts – a lauded feature that has been exploited in the construction of numerous 1D, 2D, and 3D halogen bond architectures [7]. In general, solid‐state studies have largely focused on fundamental investigations evaluating how this interaction “fits” into established crystal engineering concepts, the generation of new halogen bonding concepts, and application of the halogen bond in designed and functional crystalline materials. As such, this section is loosely organized from fundamental to functional studies and begins by highlighting a few CSD evaluations. The section provides a quick survey on halogen bonding in the solid state, and those desiring more extensive treatment of the topic are referred to the following reviews [7,58–65].

Halogen Bonding in Solution

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