• Article

      The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations (2020) 

      Pereira Orenha, Renato; Nagurniak, Glaucio R.; Cachoeira Colaço, Matheus; Finoto Caramori, Giovanni; Jeomar Piotrowski, Maurício; de Araújo Batista, Krys Elly; Muñoz-Castro, Alvaro; de Almeida Silva, Breno; Esteves, Benjamim José; Parreira, R. L.T. (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 ...
    • Article

      Theoretical study of chloride complexes with hybrid macrocycles (2021) 

      Silva, Éder Henrique Da; Pereira Orenha, Renato; Muñoz-Castro, Alvaro; Finoto Caramori, Giovanni; Cachoeira Colaço, Matheus; Guerra Silva, Graziele Capatto; Parreira, R. L.T. (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 ...