Evaluation of Halogenopyridinium Cations as Halogen Bond Donors
Luka Fotović, Nikola Bedeković, Vladimir Stilinović
Abstract
-methylation of halogenopyridines leads to a considerable increase in the ESP of the halogen σ-hole, it is generally not the most positive site on the cation, allowing for alternate binding sites.
Topics & Concepts
HalogenHalogen bondChemistryProtonationIodidePyridiniumCrystallographyAtom (system on chip)Crystal structureRing (chemistry)Computational chemistryInorganic chemistryIonMedicinal chemistryOrganic chemistryAlkylComputer scienceEmbedded systemCrystallography and molecular interactionsCrystal structures of chemical compoundsCrystallization and Solubility Studies