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The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations (2020)
(NLM (Medline), 2020-11-07)
The recent development of compounds for recognizing ions highlights the applicability of this area. In this work, the simultaneous recognition of cations (Li+, Na+ and K+) and anions (F-, Cl- and I-) using a macrocycle ...
The usefulness of energy decomposition schemes to rationalize host-guest interactions (2021)
(Royal Society of Chemistry, 2020-12-28)
This perspective focuses on the crucial role that energy decomposition schemes play in elucidating the physical nature of non-covalent interactions in supramolecular systems, particularly from the point of view of host-guest ...
Theoretical study of chloride complexes with hybrid macrocycles (2021)
(Royal Society of Chemistry, 2021-01-07)
Anions show relevant roles in biological routes. The supramolecular chemistry investigates the chemical bonding between two or more molecules and/or ions. Herein, the nature of the bond between chloride anions and macrocycle ...