Experimental study of electron density distribution in crystals of antimony(V) dicarboxylate complexes

The molecular structure and charge density distribution in the crystals of triphenylantimony bis[(2E)-3-phenylprop-2-enoate] [Ph3Sb(O2CCH=CHPh)2] and triphenylantimony bis[(2E)-3-(3-nitrophenyl)prop-2-enoate] benzene solvate [Ph3Sb(O2CCH=CHC6H4NO2-m)2·C6H6] derived from the high-resolution single-crystal X-ray diffraction data at 100 K are reported together with DFT calculations of these molecules. The nature of the chemical bonds and delocalization of electron density in carboxylate ligands was investigated. The intramolecular Sb···O interactions as well as intermolecular π···π, H···π and O···π ones and their energy are discussed.