Zn(II) and Cd(II) complexes with 3-furoic acid. Exploring the role of C-H···O interactions
Sanchez Ferez, Francisco (Universitat Autònoma de Barcelona. Departament de Química)
Ejarque, Daniel (Universitat Autònoma de Barcelona. Departament de Química)
Calvet, Teresa (Universitat de Barcelona. Departament de Mineralogia, Petrologia i Geologia Aplicada)
Font-Bardia, Mercè (Universitat de Barcelona. Unitat de Difracció de Raig-X)
Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química)

Date:	2024
Abstract:	Hydrogen bond interactions implying Csingle bondH groups and O atoms either from carboxylate, carbonyl, or ether functionalities have been demonstrated to play a pivotal role in the packing of crystal structures. To analyze and compare their significance in metal carboxylate complexes with pyridine derivatives (dPy), we have synthesized four Zn(II) and Cd(II) compounds containing 3-furoic acid (3-FA) and two different pyridine ligands (isonicotinamide, isn; and 4-acetylpyridine, 4-acpy) affording two isostructural dimeric complexes [Zn(μ-3-FA)(3-FA)(isn)2]2 (1) and [Cd(μ-3-FA)(3-FA)(isn)2]2 (2), one dimeric paddle-wheel [Zn(μ-3-FA)2(4-acpy)]2 (3), and one monomer [Cd(3-FA)2(4-acpy)2(OH2)] (4). Their crystal structures have been elucidated and studied in detail, showing variable coordination modes of the 3-FA ligand and different coordination numbers. The Csingle bondH···O interactions analysis of the four complexes in combination with their previously reported analogs with 2-furoic (2-FA) and piperonylic (HPip) acids, highlights the importance of such associations in the final crystal arrangement benefitting from cooperative effects. Finally, the photophysical properties in MeOH solution of 1-4 have been analyzed and their quantum yields calculated and compared.
Grants:	"la Caixa" Foundation CB615921 "la Caixa" Foundation CB616406 Agència de Gestió d'Ajuts Universitaris i de Recerca 2021/SGR-00262
Rights:	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.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Subject:	Zn(II) and Cd(II) compounds ; X-ray crystal structure ; N-donor ligands ; C-H···O ; Interactions ; Energy frameworks ; Photophysical properties
Published in:	Journal of molecular structure, Vol. 1309 (August 2024) , art. 138206, ISSN 0022-2860

DOI: 10.1016/j.molstruc.2024.138206

13 p, 7.4 MB

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