2026-04-17T15:48:00Zhttps://recercat.cat/oai/request

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

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 https://ddd.uab.cat/record/233388 urn:10.3390/molecules25163615 urn:oai:ddd.uab.cat:233388 urn:articleid:14203049v25n16p3615 urn:pmid:32784822 urn:pmc-uid:7463536 urn:pmcid:PMC7463536 urn:oai:pubmedcentral.nih.gov:7463536 urn:oai:egreta.uab.cat:publications/b5a8f046-e906-44c5-a52f-6172e223b80a eng 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/ application/pdf