Reactions of copper(II) bromide with 2,6-diacetylpyridine bis(phenyl-hydrazone) (L)-molecular and crystal structure of L and its mixed-valence complex [CuIIL2][CuI2Br4]

Utilizing X-ray crystallography, the crystal and molecular structures of 2,6-diacetylpyridine bis(phenylhydrazone) (L) were determined. The energetics intermolecular interactions in structure assessed with computational methods, revealing that dispersion are dominant. basic structural unit packing was revealed to be herring- bone type arrangement L molecules. Assignation IR spectrum aid DFT calculations performed. Furthermore, new reactions CuBr2 different solvents described, which led synthesis mixed Cu(II)?Cu(I) complex formula [CuIIL2][CuI 2Br4] (1), its characterization. In cation, two molecules tridentate N3 ligand meridionally arranged a very distorted octahedral environment Cu(II) ion. [Cu2Br4]2-, bromide ions trigonal- -planar geometry around each copper(I) atom. Finally, for ligand, 1, previously synthesized [CuL2]Br2, thermal properties examined. stability complexes lower than decrease order: (250?C) > [CuL2]Br2 (221?C) (212?C). differences due efficacy constitutional ions.