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

详细信息	查看全文 | 推荐本文 |

• 作者：B.B. Koleva ; Ts. Kolev ; M. Spiteller
• 关键词：H-Trp-Phe-OH ; H-Tyr-Trp-OH ; Au(III)-complexes ; IR-LD spectroscopy ; DFT calculations ; UV ; ¹H and ¹³C NMR ; FAB-MS
• 刊名：Inorganica Chimica Acta
• 出版年：2007
• 期刊代码：40_00201693
• 类别：ch
• 出版时间：2 May 2007
• 卷：360
• 期：7
• 页码：2224-2230
• 文件大小：169 K

摘要

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 -groups at molar ratio metal to ligand 1:1. One Cl⁻ ion is joined to the Au(III) as terminal ligand, forming [Au^III(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°.