Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1410986 | Journal of Molecular Structure | 2007 | 9 Pages |
Abstract
The dipeptide alanylphenylalanine (H-Ala-Phe-OH), its hydrochloride (HCl Ã H-Ala-Phe-OH) and Au(III)-complex have been characterized structurally. Quantum chemical DFT and ab initio calculations, solid-state linear-dichroic infrared (IR-LD) spectroscopy and 1H and 13C NMR data were employed. The results are confirmed by a single crystal X-ray diffraction analysis of HCl Ã H-Ala-Phe-OH. The coordination with Au(III) is supported by data from MS, TGV, DSC methods and by elemental analysis. The H-Ala-Phe-OH coordinates in a bidentate manner via an O-atom of the COOâ-group and N-amide nitrogen, after a previous deprotonation of the NH-group has taken place. Two Clâ ions are attached to the metal center as terminal ligands, yielding a completely planar geometry for the AuNOCl2 chromophor in the mononuclear [Au((H-Ala-Phe-OH)Hâ1)Cl2] complex.
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Authors
B.B. Koleva, Ts. Kolev, S.Y. Zareva, M. Spiteller,