Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by NMR
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This thesis deals with the self-organization of individual building blocks, specifically organic molecules and metal atoms, into supramolecular structures on metal surfaces under ultra high vacuum conditions (UHV). Self-organization of supramolecular syste ...
We investigate the DFT + U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic chemistry, these compounds represent a paradigmatic case where LDA, GGA, an ...
We report scanning tunneling microscopy observations on the formation of 2D Co-based coordination compounds on the reconstructed Au(111) surface. Preorganized arrays of Co bilayer islands are shown to be local reaction sites, which are consumed in the form ...
This overview presents recent work on the coordination chemistry and catalytic activity of bis-phosphine ruthenium(II)-arene complexes, RuCl(PPh3)(PR3)(eta(6)-arene), carried out in the Laboratory of Organometallic and Medicinal Chemistry at the EPFL. ...
We report the solution NMR structure of a designed dimetal-binding protein, di-Zn(II) DFsc, along with a secondary refinement step employing molecular dynamics techniques. Calculation of the initial NMR structural ensemble by standard methods led to distor ...
A series of ruthenium, osmium and rhodium complexes utilizing pta, (1,3,5-triaza-7-phosphatricyclo-[3.3.1.1]decane) and pta-Me+, its N-methyl derivative, have been synthesized. Their characterization by 1H and 31P NMR spectroscopy, ESI-MS and single crysta ...
The diastereoselective synthesis of chiral coordination compounds with d metals proved the effectiveness of the pinene-bipyridine approach in predetermining the chirality at the metal centre. The strong Lewis acidic character of lanthanide cations required ...
A rational approach to the formation of pure heteropolymetallic lanthanide complexes that uses a two-step assembly strategy and exploits the different size requirements of the two metals included in the final structure is described. The investigation of th ...
A DTPA-based chelate containing one phosphinate group was conjugated to a generation 5 polyamidoamine (PAMAM) dendrimer via a benzylthiourea linkage. The Gd(III) complex of this novel conjugate has potential as a contrast agent for magnetic resonance imagi ...
The synthesis and characterization of a series of cobalt(III) complexes of the general type Co(N2O2)(L-2) are described. The N2O2 Schiff base ligands used are Me-salpn (H2Me-salpn = N,N'-bis(methylsalicylidene)-1,3-propylenediamine) (1-3) and Me-salbn ...