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Three novel copper(II) 2-nitrobenzoate complexes, [Cu(gamma-pic)2(2-nitrobenzoate)2] 1, [Cu(beta-pic)(2-nitrobenzoate)2 (H2O)2] 2 and [Cu2(H2tea)(2-nitrobenzoate)2]. 2(H2O) 3 (where gamma-pic = 4-methylpyridine, beta-pic = 3-methylpyridine and H2tea = mono deprotonated triethanolamine), were isolated by addition of gamma-pic, beta-pic and H3tea to the hydrated copper(II) 2-nitrobenzoate, [Cu2(2-nitrobenzoate)4(H2O)2], suspended in a methanol : water (4 : 1) mixture. The newly synthesized complexes have been characterized by elemental analyses, thermogravimetric analysis (TGA), spectroscopic techniques (EPR, IR and UV/Visible), magnetic susceptibility measurements, single crystal X-ray structure determination and DFT study. All compounds crystallize in the monoclinic crystal system with the P21/c space group. X-ray structure determination revealed the presence of monomers in both 1 and 2 and dimer in 3 with the deprotonated oxygen atom of the H2tea ligand bridging two Cu(II) atoms. Two co-crystallized water molecules are also present in 3. The crystal lattice is stabilized by C–H...O hydrogen bonding interactions in 1 and O–H...O, C–H...O hydrogen bonding interactions in 2 and 3. The dimeric complex exhibits relatively strong ferromagnetic exchange with J = 100 cm-1 (corresponding to H=JS1S2). The zero-field splitting parameters (zfs) of the dimer triplet states D and E were derived from HF EPR spectra recorded at moderately low temperatures. The sign of D was determined from low- temperature HF EPR spectra

new journal of chemistry

Influence of nitrogen donor ligands on the coordination modes of copper(<scp>ii</scp>) 2-nitrobenzoate complexes: structures, DFT calculations and magnetic properties

Influence of nitrogen donor ligands on the coordination modes of copper(ii) 2-nitrobenzoate complexes: structures, DFT calculations and magnetic properties