On the energetic stability of halogen bonds involving metals: implications in crystal engineering
Ismael Benito, Rosa M. Gomila, Antonio Frontera
Abstract
This manuscript reports a CSD survey of X-ray structures exhibiting halogen bonds involving metals of group 10 as electron donors. The DFT study on several model systems discloses that the interactions are moderately strong.
Topics & Concepts
HalogenHalogen bondCrystallographyCrystal (programming language)Materials scienceGroup (periodic table)Crystal engineeringCrystal structureChemistryComputational chemistryOrganic chemistrySupramolecular chemistryComputer scienceProgramming languageAlkylCrystallography and molecular interactionsX-ray Diffraction in CrystallographyInorganic Fluorides and Related Compounds