Mononuclear Au(III)-complexes with tryptophan-containing dipeptides: Synthesis, spectroscopic and structural elucidation

The coordination ability of dipeptides l-tryptophyl-l-phenylalanine (H-Trp-Phe-OH) and l-tyrosyl-l-tryptophan (H-Tyr-Trp-OH) with Au(III) have been elucidated both in solid state and in solution by means of series of methods as UV, 1H and 13C NMR, conventional and linear-polarized IR-spectroscopic tool in solid-state, based on orientation technique as suspension in nematic liquid crystal, FAB-MS, TGV, DSC methods and elemental analysis. The structures of the Au(III)-complexes have been predicted theoretically by DFT calculations at B3LYP level of theory and Lanl2DZ (Au)/6-31+G(3df) (Cl, C, H) basis set. The last data are compared with IR-LD spectroscopic ones giving the experimental evidence of the structures of the complexes studied. The dipeptides interact as tridentate ligands in obtained mononuclear complexes via their –NH2, deprotonated N−-amide and View the MathML sourceCO2--groups at molar ratio metal to ligand 1:1. One Cl− ion is joined to the Au(III) as terminal ligand, forming [AuIII(LH−1)Cl] species. A near to square-planar flat geometry of the chromophores AuN2OCl is yielded with maximal deviation of total planarity less than 0.9°.