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We applied first principles molecular dynamics (MD) technique to study structure, dynamics, and magnetic interactions of the Gd3+ aqua ion dissolved in liquid water, a prototypical system for Gd-based complexes used as contrast agents for magnetic res ...
This thesis encompasses work on the coordination chemistry and catalytic activity of half sandwich ruthenium(II)-arene phosphine complexes. The investigation of phosphine dissociation and association reactions of these complexes represents the unifying the ...
A series of lanthanide adducts with different amounts of 1,10-phenanthroline, chloride ions, and water molecules in the inner and outer coordination spheres are investigated with the aim of relating the chemical bonding pattern in the crystals to the lumin ...
The hexadentate bispidine-based ligand 2,4-bis(2-pyridyl)-3,7-bis(2-methylenepyridine)-3,7-diazabicyclo[3.3.1]nonane-9-on-1,5-bis(carbonic acid methyl ester), L-6m, with four pyridine and two tertiary amine donors, based on a very rigid diazaadamantane-der ...
New polydentate ligands (e.g., Tsox and TsoxMe) have been synthesized to take advantage of the chelating effect of bidentate 8-hydroxyquinolinate subunits connected to a N,N,N¢,N¢-tetraaminopropyl-1,2-ethylenediamine framework and with the aim of sensitizi ...
Ruthenium-based anticancer chemotherapies are making significant advances in clinical trials. Until recently, the focus has been on coordination complexes, and mechanisms such as "activation by reduction" and "transferrin-targeted delivery" have been propo ...
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. ...
The knowledge and understanding of the mechanism as well as the rate constant of the solvent exchange reactions are fundamental, since these reactions represent an important step in complex formation reactions on metal ions. Solvent exchange reactions in a ...
A new polydentate tripodal ligand T2soxMe was synthesized to take advantage of the chelating effect of tridentate 8- hydroxyquinolinate subunits. Potentiometric and spectrophotometric titrations reveal seven pKa values of between 3.7 and 10.2. In water, th ...
The synthesis of metal complexes with bioligands is one option to introduce chirally defined ligands to catalysts. Herein, file hydration of nitriles to the corresponding carboxamides by use of ruthenium(H) complexes is described, which were obtained by at ...