Franchini, Davide; Dapiaggi, Federico; Pieraccini, Stefano; Forni, Alessandra; Sironi, Maurizio published the artcile< Halogen bonding in the framework of classical force fields: The case of chlorine>, Recommanded Product: 1-Chloro-3,5-difluorobenzene, the main research area is aryl chloride alanine halogen bonding Van der Waals force.
Halogen bonding is nowadays a consolidated tool in chem. Only recently, the importance of halogen bonding has been demonstrated also in biol. systems, owing to the presence of halogens in drugs. This interaction is due to the anisotropy of the electron d. around the halogen that leads to the formation of the ‘σ-hole’, which is responsible for the interaction with a nucleophile site. Unfortunately, classical force fields used in the study of ligand-receptor systems are not able to describe the ‘σ-hole’. Here, we propose a pseudo-atom based methodol. able to correctly describe halogen bonding involving chlorine using classical force field.
Chemical Physics Letters published new progress about Aryl chlorides Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Recommanded Product: 1-Chloro-3,5-difluorobenzene.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics