The rates of oxidation of ferrocene derivatives by brominated molecules R-Br (CBr3CN, CBr4, CBr3NO2, CBr3COCBr3, CBr3CONH2, CBr3F, and CBr3H) were consistent with the predictions of the outer-sphere dissociative electron-transfer theory. The similar redox-reactions of the R-Br electrophiles with the typical halogen-bond acceptors tetramethyl-p-phenylenediamine (TMPD) or iodide were much faster ...

Short oxygen-halogen interactions have been known in organic chemistry since the 1950s and recently have been exploited in the design of supramolecular assemblies. The present survey of protein and nucleic acid structures reveals similar halogen bonds as potentially stabilizing inter- and intramolecular interactions that can affect ligand binding and molecular folding. A halogen bond in biomole...

BACKGROUND Halogen bonding has recently come to play as a target for lead optimization in rational drug design. However, most docking program don't account for halogen bonding in their scoring functions and are not able to utilize this new approach. In this study a new and improved halogen bonding scoring function (XBSF) is presented along with its implementation in the AutoDock Vina molecular ...

This study determined the hardness and curing depth of a light-activated indirect composite polymerized with three laboratory light-polymerizing units for the purpose of comparing the curing performance of the three units. A light-activated composite material for indirect application (Vita Zeta) was polymerized with three light-polymerizing units equipped with the following light sources: 1) on...

the character of the intermolecular interactions in cl2-hx (x =f, cl and br) complexes has been investigated by means of the second-order möller–plesset perturbation theory (mp2) and the density functional theory (dft) calculations. the results show that there are two types of lowest interaction potential equilibrium structures in the interactions between cl2 and hx: x∙∙∙cl type geometry and hy...

The first examples of halogen bonding redox-active ferrocene receptors and their anion electrochemical sensing properties are reported. Halogen bonding was found to significantly amplify the magnitude of the receptor's metallocene redox-couple's voltammetric responses for halide sensing compared to their hydrogen bonding analogues in both acetonitrile and aqueous-acetonitrile solvent media.

Hydrogen bonds and halogen bonds can be used as synthetic vectors without structural interference as long as the primary molecular recognition events are designed around a careful combination of geometric and electrostatic complementarity. In addition, a one-step procedure for the synthesis of tectons equipped with powerful hydrogen- and halogen-bond donors is presented.

Only a few studies on the use of halogen bonding in catalysis have been published so far. Herein, (benz)imidazolium-based halogen bond donors are used as catalysts in a Michael addition reaction. The most potent catalyst, a rigid atropisomer featuring two iodobenzimidazolium moieties, provided a rate acceleration versus a reference compound of ca. 50.

Aryl-bromine bonds are successfully cleaved by cobalt(II) porphyrins in basic media to give Co(por)Ar (por = porphyrin) in good yields. Mechanistic studies suggested that the aryl-bromine bond is cleaved through a halogen atom transfer mechanism, which is different from the aryl-halogen bond cleavage mechanism with other group 9 metalloporphyrins.