Halogen…π interactions in the complexes of fluorenonophane with haloforms

The study of two complexes fluorenonophane with CHCl3 and CHBr3 molecules has revealed that they differ mainly by the halogen bonds between host guest molecules. experimental theoretical quantum chemical shown strength a bond depends on nature atom as well its orientation to π-system. more positive electrostatic potential was at bromine indicating stronger participation confirmed interaction energies calculated for corresponding dimers evaluation true energy bond. chlorine carbon aromatic instead center benzene ring leads shortest Hal…C distance points out according geometrical characteristics. EDA analysis their analogs one replaced hydrogen allows us presume bonding is rather dispersive than electrostatic.