Complexation of molecular clips containing fragments of diphenylglycoluril and benzocrown ethers with paraquat and its derivatives

Kikot, Leonid S.; Kulygina, Catherine Yu.; Lyapunov, A. Yu.; Шишкина, Светлана В.; Zubatyuk, Roman I.; Bogaschenko, Tatiana Yu.; Kirichenko, T. I.

doi:10.3762/bjoc.13.203

Cited by 5 publications

(1 citation statement)

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“…Despite their low strength, weak intermolecular interactions are quite effective in the formation of hostguest complexes [39][40][41]. The search for new e cient host molecules for molecular complexes led us to the synthesis (Scheme 1) of the uorenonophane 3 representing a new group of macrocyclic receptors for organic molecules.…”

Section: Introductionmentioning

confidence: 99%

Halogen…π interactions in the complexes of fluorenonophane with haloforms

et al. 2021

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The study of two complexes of uorenonophane with CHCl 3 and CHBr 3 molecules has revealed that they differ mainly by the halogen bonds between host and guest molecules. The experimental and theoretical quantum chemical study has shown that the strength of a halogen bond depends on the nature of a halogen atom as well as its orientation to the π-system. The more positive electrostatic potential was revealed at the bromine atom indicating the stronger halogen bond with its participation that was con rmed by the interaction energies calculated for corresponding dimers and the evaluation of the true energy of a halogen bond. The orientation of the chlorine atom at the carbon aromatic atom instead of the center of the benzene ring leads to the shortest Hal…C distance that points out the stronger interaction according to the geometrical characteristics. The EDA analysis of the uorenonophane complexes with CHCl 3 and CHBr 3 and their analogs with one halogen atom replaced by the hydrogen atom allows us to presume that the nature of halogen bonding is rather dispersive than electrostatic.

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Section: Introductionmentioning

confidence: 99%