Igor Djerdj, Nives Kitanovski, Jasminka Popović and Xavier Rocquefelte
Accepted Abstracts: J Nanomed Nanotechnol
The synthesis of the coordination compounds with the polydentate ligand bis(3,5-dimethylpyrazol-1 yl)acetic acid (HL = C1 2 H 16 N 4 O 2 ) has been described extensively in the last decade. This may well be related to the enzymatic mimicking potential of the polypirazolyl-carboxylate family, to which this ligand belongs. At first glance, chromium may not be a convenient choice of a metal for the biocatalytic material. Nevertheless, it can be drawn into a focus due to its relation to the other first row transition metals as with molybdenum and tungsten from the same sixth side group of the periodic table. Thus, it is not a surprise only two chromium compounds with the polypirazolyl-carboxylate type of ligands were described so far. Herein, we present a chromium compound [Cr(HL)Cl 3 ], where the corresponding crystal structure has been determined combining powder XRD and DFT geometry optimization. This is a method of a choice, due to the crystallization difficulties or other challenges resulting in luck of a single crystal. The chromium +3 oxidation state and the neutral form of the coordinated ligand in (1) remain as in the starting compounds. Typically, HL would dehydronate upon coordination, as usually observed in the compounds with this ligand. On the contrary to (1), the related [ML2] species with MN 4 O 2 chromophores are more stable, but due to such stable closed coordination sphere, they are not catalytically promising