Abstract
Six novel copper(II) compounds with derivatives of methylsalicylate (MeSal–) and methoxysalicylate anions (MeOSal–) and 2-(hydroxymethyl)benzimidazole (2-MeBzim), were prepared and characterized by elemental analysis, X-ray analysis IR, UV–Vis and EPR spectroscopy. The synthesis in the presence of 3-methylsalicylate anion led to formation of two complexes with same composition [Cu(3-MeSal)2(2-MeBzim)2] (1a and 1b) which provide a fortunate case of reproducible conformational polymorphism/isomerism. Using state-of-the-art metadynamic computational simulations, the hypothesis that their formation is due to the use of different solvents has been verified.
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