Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …

Macrocyclic structures are common synthetic targets in drug discovery,(1, 2) and therefore,
interest in their study is continuously increasing in this field.(3, 4) A classic example is …

As an orthogonal principle to the established (hetero) aryl halides, we herein highlight the
usefulness of CF2X (X= Cl, Br, or I) moieties. Using tool compounds bearing CF2X moieties …

The development of synthetic host–guest chemistry to investigate and quantify weak, non-
covalent interactions has been key to unraveling the complexity of molecular recognition in …

Molecular capsules based solely on the interaction of halogen bonding (XB) are presented
along with their host–guest binding properties in solution. The first example of a well …

Supramolecular capsules were assembled by neutral halogen bonding (XB) and studied in
the solid state, in solution, and in the gas phase. The geometry of the highly organized …

Halogen bonding (XB) between (iodoethynyl) benzene donors and quinuclidine in benzene
affords binding free enthalpies (Δ G, 298 K) between− 1.1 and− 2.4 kcal mol–1, with a strong …

Self-assembly of pre-organized subunits with a concave overall shape is an effective
strategy for the synthesis of supramolecular capsules. We report the synthesis of a cavitand …

We have investigated the influence of electron density on the three-center [N–I–N]+ halogen
bond. A series of [bis (pyridine) iodine]+ and [1, 2-bis ((pyridine-2-ylethynyl) benzene) …

A detailed investigation of the influence of counterions on the [N–I–N]+ halogen bond in
solution, in the solid state and in silico is presented. Translational diffusion coefficients …