Structural and spectroscopic properties and density functional theory (DFT) calculations of a linearly bridged zinc(II) l-tyrosinato complex

The {[Zn(l-Tyr)2(μ-4,4′-bpy)]·4H2O}n compound (1), where l-Tyr = l-tyrosine and 4,4′-bpy = 4,4′-bipyridine, has been obtained as crystals and studied by single-crystal X-ray diffraction and FT-IR, FT-Raman and Vis-UV spectroscopies, combined with density functional theory (DFT) calculations. In addition, the solution behavior of 1 as well as its l-Tyr and 4,4′-bpy components has been investigated by means of 1H and 13C NMR spectroscopy.