“…Similar spectra have been observed for other paddle-wheel dinuclear Cu II complexes in the past. [35][36][37] Simulation of the EPR data at the highest temperature ( Figure 9) provided an estimated zero-field splitting parameter (D) of 0.36 cm À1 , which is in the range of literature values for these type of species (between 0.26 to 0.40 cm À1 ). [33,38] Electronic-structure calculations: The electronic-structure calculations have been carried out with two different goals.…”
mentioning
confidence: 99%
“…Similar spectra have been observed for other paddle-wheel dinuclear Cu II complexes in the past. [35][36][37] Simulation of the EPR data at the highest temperature (Figure 9) provided an estimated zero-field splitting parameter (D) of 0.36 cm…”
A series of new mononuclear and carboranylcarboxylate-bridged dinuclear copper(II) compounds containing the 1-CH(3)-2-CO(2)H-1,2-closo-C(2)B(10)H(10) carborane ligand (LH) has been synthesized. Reaction of different copper salts with LH at room temperature leads to dinuclear compounds of the general formula [Cu(2)(μ-L)(4)(L(t))(2)] (L(t) = thf (1), L(t) = H(2)O (1')). The reaction of 1 and 1' with different terminal pyridyl (py) ligands leads to the formation of a series of structurally analogous complexes by substitution of the terminal ligand thf or H(2)O (L(t) = py (2), p-CF(3)-py (3), p-CH(3)-py (4), pz (6), and 4,4'-bpy (7)), which maintain the structural Cu(2)(μ-O(2)CR)(4) core in the majority of the cases except for o-(CH(3))(2)-py, where a mononuclear compound (5) is exclusively obtained. These compounds have been characterized through analytical, spectroscopic (NMR, IR, UV-visible, ESI-MS) and magnetic techniques. X-ray structural analysis revealed a paddle-wheel structure for the dinuclear compounds, with a square-pyramidal geometry around each copper ion and the carboranylcarboxylate ions bridging two copper atoms in syn-syn mode. The mononuclear complex obtained with the o-(CH(3))(2)-py ligand presents a square-planar structure, in which the carboranylcarboxylate ligand adopts a monodentate coordination mode. The magnetic properties of the dinuclear compounds 1, 3, 4, and 6 show a strong antiferromagnetic coupling in all cases (J = -261 (1), -255 (3), -241 (4), -249 cm(-1) (6)). Computational studies based on hybrid density functional methods have been used to study the magnetic properties of the complexes and also to evaluate their relative stability on the basis of the strength of the bond between each Cu(II) and the terminal ligand.
“…Similar spectra have been observed for other paddle-wheel dinuclear Cu II complexes in the past. [35][36][37] Simulation of the EPR data at the highest temperature ( Figure 9) provided an estimated zero-field splitting parameter (D) of 0.36 cm À1 , which is in the range of literature values for these type of species (between 0.26 to 0.40 cm À1 ). [33,38] Electronic-structure calculations: The electronic-structure calculations have been carried out with two different goals.…”
mentioning
confidence: 99%
“…Similar spectra have been observed for other paddle-wheel dinuclear Cu II complexes in the past. [35][36][37] Simulation of the EPR data at the highest temperature (Figure 9) provided an estimated zero-field splitting parameter (D) of 0.36 cm…”
A series of new mononuclear and carboranylcarboxylate-bridged dinuclear copper(II) compounds containing the 1-CH(3)-2-CO(2)H-1,2-closo-C(2)B(10)H(10) carborane ligand (LH) has been synthesized. Reaction of different copper salts with LH at room temperature leads to dinuclear compounds of the general formula [Cu(2)(μ-L)(4)(L(t))(2)] (L(t) = thf (1), L(t) = H(2)O (1')). The reaction of 1 and 1' with different terminal pyridyl (py) ligands leads to the formation of a series of structurally analogous complexes by substitution of the terminal ligand thf or H(2)O (L(t) = py (2), p-CF(3)-py (3), p-CH(3)-py (4), pz (6), and 4,4'-bpy (7)), which maintain the structural Cu(2)(μ-O(2)CR)(4) core in the majority of the cases except for o-(CH(3))(2)-py, where a mononuclear compound (5) is exclusively obtained. These compounds have been characterized through analytical, spectroscopic (NMR, IR, UV-visible, ESI-MS) and magnetic techniques. X-ray structural analysis revealed a paddle-wheel structure for the dinuclear compounds, with a square-pyramidal geometry around each copper ion and the carboranylcarboxylate ions bridging two copper atoms in syn-syn mode. The mononuclear complex obtained with the o-(CH(3))(2)-py ligand presents a square-planar structure, in which the carboranylcarboxylate ligand adopts a monodentate coordination mode. The magnetic properties of the dinuclear compounds 1, 3, 4, and 6 show a strong antiferromagnetic coupling in all cases (J = -261 (1), -255 (3), -241 (4), -249 cm(-1) (6)). Computational studies based on hybrid density functional methods have been used to study the magnetic properties of the complexes and also to evaluate their relative stability on the basis of the strength of the bond between each Cu(II) and the terminal ligand.
“…Copper(II) carboxylates have gained increasing attention due to considerable interest in structural chemistry, gas storage, magnetism, catalysis, and biology . They are known to form a variety of structures depending on the nature of ligand, solvent and reaction conditions.…”
Two new supramolecular assemblies formed by [Cu2(Hdiphba)4] (H2diphba=4‐hydroxy‐3,5‐di‐iso‐propylbenzoic acid) in protic and aprotic solvents have been investigated. Methanol gives rise a 3D hydrogen‐bonded network comprised of [Cu2(Hdiphba)4] and extremely rare twisted‐boat methanol cyclohexamer synthons. While, dimethyl sulfoxide (DMSO), an aprotic solvent, gives a 2D assembly in which DMSO bridges [Cu2(Hdiphba)4] units to form 1D rectangular channels, entrapping guest DMSO arranged in a zig‐zag chain. The solvent molecules could be replaced with neutral N,N’‐donor linkers to form 1D coordination polymers.
“…Copper(II) complexes have received considerable attention in the last years due to their varied structures and physical‐chemical properties with several applications in many areas, including studies of exchange‐coupling interactions between adjacent central metal atoms in dimeric and polynuclear systems as well as biochemical functions 1–3…”
3 O = 2-furanocarboxylate anion, bipy = 4,4Ј-bipyridine, and bpp = 1,3-bis(4-pyridyl)propane] were synthesized and their crystal and molecular structures were determined by single-crystal X-ray diffraction analysis. Compound 1 consists on bimetallic tetracarboxylate units exhibiting a common paddle wheel structure. The paddle wheel units are connected by
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