Experimental and theoretical investigation of structure-magnetic properties relationships in a new heteroleptic one-dimensional triple bridged azido/acetato/DMSO copper (II) coordination polymer

• Published in: Journal of molecular structure Vol. 1271; p. 134041
• Main Authors: Boutebdja, Mehdi, Baâdji, Nadjib, Beghidja, Chahrazed, Rabu, Pierre, Beghidja, Adel
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.01.2023; Elsevier
• Subjects: Azide; Carboxylate; Chemical Sciences; Coordination chemistry; Material chemistry; Molecular magnetism; One-dimensional coordination polymer; Triple-bridged-Cu (II); Carboxylate; One-dimensional coordination polymer; Triple-bridged-Cu (II); Molecular magnetism; Azide
• ISSN: 0022-2860; 1872-8014; 0022-2860
• DOI: 10.1016/j.molstruc.2022.134041

•1-D copper coordination polymer based on oxo/azido/carboxylato triple bridging is obtained.•Magnetic properties reveal an overall ferromagnetic interaction of +66 cm−1 within the chains.•Weak antiferromagnetic inter-chain interactions occurs and a metamagnetic transition is observed at low temperature.•Long rang 3-D magnetic ordering is observed at TN = 2.1 K.•DFT calculations confirm that magnetic behaviour and coupling strength are in good agreement with experimental data. We report the synthesis, structure, and magnetic investigation of a novel one-dimensional copper (II) coordination polymer: formula [Cu(μ1,1N3)(μ1,3OAc)(μ-DMSO)]∞ (1) (OAc=acetate). The connection between neighbouring copper ions arises through a triple bridge involving EO type azide, syn–syn carboxylate and μ-DMSO molecule in apical positions forming an elongated octahedral coordination of copper ions. Magnetic susceptibility measurements show that complex (1) exhibits ferromagnetic intrachain interactions Jchain = +66 cm−1 whereas a metamagnetic behaviour occurs below 2.1 K related with antiferromagnetic inter-chain interactions with a critical field of 600 Oe at 1.8 K. DFT calculations were caried out to rationale the in-chain ferromagnetic interactions between copper ions. We found that the ferromagnetic coupling between copper ions is less sensitive to variation of bond length and/or Cu-N-Cu angle that may be caused by external stimulus such as temperature or pressure.