2026-04-18T04:47:17Zhttps://recercat.cat/oai/request

oai:recercat.cat:2072/4420732024-10-31T05:26:15Zcom_2072_98col_2072_378192

urn:hdl:2072/442073 Construction of Zn(II) Linear Trinuclear Secondary Building Units from A Coordination Polymer Based on α-Acetamidocinnamic Acid and 4-Phenylpyridine Ejarque, Daniel Calvet, Teresa Font-Bardia, Mercè Pons Picart, Josefina Zn(II) A-acetamidocinnamic acid Coordination polymerTtrinuclear complexes Secondary building unit X-ray crystal structures Hirshfeld surface analysis Electrostatic surface potential The synthesis and characterization of one coordination polymer and two trinuclear complexes are presented. The coordination polymer [Zn2(µ-O,O'-ACA)2(ACA)2(4-Phpy)2]n (1) has been obtained by the reaction between Zn(OAc)2·2H2O, α-acetamidocinnamic acid (HACA), and 4-phenylpyridine (4-Phpy) using EtOH as solvent. Its recrystallization in CH3CN or EtOH yields two trinuclear complexes, both having pinwheel arrays with formulas [Zn3(µ-ACA)6(4-Phpy)2]·4CH3CN (2·4CH3CN) and [Zn3(µ-ACA)6(EtOH)2]·4EtOH (3·4EtOH), respectively. These trinuclear species, unavoidably lose their solvent co-crystallized molecules at RT yielding the complexes [Zn3(µ-ACA)6(4-Phpy)2] (2) and [Zn3(µ-ACA)6(EtOH)2] (3). In addition, compound 2 has also been obtained reacting Zn(OAc)2·2H2O, HACA, and 4-Phpy in a 1:2:2 ratio using CH3CN as solvent. Compounds 1-3 have been characterized by analytical and spectroscopic techniques. Furthermore, single crystals suitable for X-ray diffraction method for compounds 1, 2·4CH3CN, and 3·4EtOH were obtained and their supramolecular interactions have been studied and discussed, showing 2D supramolecular planes for the trinuclear complexes and a 3D supramolecular network for the coordination polymer. Finally, the supramolecular interactions of 2·4CH3CN and 3·4EtOH have been compared using Hirshfeld surface analysis and electrostatic potential calculations. 2020 Article Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-1687 Molecules ; Vol. 25, Núm. 16 (August 2020), art. 3615 open access Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original. https://creativecommons.org/licenses/by/4.0/