On the recognition of chloride, bromide and nitrate anions by anthracene–squaramide conjugated compounds: a computational perspective
Renato P. Orenha, Vanessa Borges da Silva, Giovanni F. Caramori, Felipe S. S. Schneider, Maurício J. Piotrowski, Julia Contreras‐García, Carlos Cárdenas, Marina Briese Gonçalves, Fernando Mendizábal, Renato L. T. Parreira
Abstract
Anionic recognition appears in several biological processes. Here, the interaction between anthracene–squaramide conjugated compounds and Cl<sup>−</sup>, Br<sup>−</sup>and NO<sub>3</sub><sup>−</sup>anions has been explored using density functional theory (DFT) calculations.
Topics & Concepts
ChemistrySquaramideConjugated systemAnthraceneDensity functional theoryBromideChlorideMedicinal chemistryInorganic chemistryComputational chemistryOrganic chemistryCatalysisPolymerOrganocatalysisEnantioselective synthesisMolecular Sensors and Ion DetectionCrystallography and molecular interactionsAnalytical Chemistry and Chromatography