Concept

Théorie du champ de ligands

Publications associées (255)

Binding of Organometallic Ruthenium(II) Anticancer Compounds to Nucleobases: A Computational Study

Ursula Röthlisberger, Ivano Tavernelli, Christian Gossens

The reaction of the anticancer compound (eta(6)-benzene)Ru(en)(OH2) (1) toward the nucleobases guanine, adenine, and cytosine is studied computationally using DFT/BP86 calculations. The aqua leaving group of such compounds is known to undergo ligand ...

2009

Designing Simple Tridentate Ligands for Highly Luminescent Europium Complexes

Rosario Scopelliti, Jean-Claude Bünzli, Svetlana Eliseeva

A series of tridentate benz- ACHTUNGTRENUNGimidazole-substituted pyridine-2-carboxylic acids have been prepared with a halogen, methyl or alkoxy group in the 6-position of the benzimidazole ring, which additionally contains a solubilising N-alkyl chain. Th ...

2009

Modulating the Near-Infrared Luminescence of Neodymium and Ytterbium Complexes with Tridentate Ligands Based on Benzoxazole-Substituted 8-Hydroxyquinolines

Rosario Scopelliti, Jean-Claude Bünzli, Frédéric Gumy

An improved synthesis of 2-(2′-benzothiazole)- and 2-(2′-benzoxazole)-8-hydroxyquinoline ligands that combine a tridentate N,N,O-chelating unit for metal binding and extended chromophore for light harvesting is developed. The 2-(2′-benzoxazole)-8-hydroxyqu ...

2009

Water Stability and Luminescence of Lanthanide Complexes of Tripodal Ligands Derived from 1,4,7-Triazacyclononane: Pyridinecarboxamide versus Pyridinecarboxylate Donors

Marinella Mazzanti

A series of europium(III) and terbium(III) complexes of three 1,4,7-triazacyclononane-based pyridine containing ligands were synthesized. The three ligands differ from each other in the substitution of the pyridine pendant arm, namely they have a carboxyli ...

2009

Size Limitations for the Formation of Ordered Striped Nanoparticles

Francesco Stellacci, Randy Patrick Carney, Jiwon Kim

A combination of immiscible molecules in the ligand shell of a gold nanoparticle (NP) has been shown to phase separate into a rippled structure; this phase separation can be used to direct the assembly of the NPs into chains. Here we demonstrate that only ...

2008

Tuning the self-assembly of lanthanide triple stranded heterobimetallic helicates by ligand design

Rosario Scopelliti, Jean-Claude Bünzli, Thomas Binderup Jensen

The heterobitopic ligands LAB4 and LAB5 have been designed and synthesised with the ultimate aim of self-assembling dual-function lanthanide complexes containing either a magnetic and a luminescent probe or two luminescent probes emitting at different wave ...

2008

Electronic Structure of Surface-supported Bis(phthalocyaninato) terbium(III) Single Molecular Magnets

Klaus Kern

The electronic structure of isolated bis(phthalocyaninato) terbium(ill) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studie ...

2008

Acetonitrile exchange kinetics on di- and trivalent lanthanide ions

Gabriella Eva Bodizs

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 ...

EPFL2008

Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement

Matteo Dal Peraro, Wei Liu

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 ...

2008

Self-assembly of boron-based supramolecular structures

Nicolas Christinat

This work describes the synthesis and characterization of boronic acid-based supramolecular structures. Macrocycles, dendritic structures, polymers, rotaxanes, and cages were assembled using four types of reversible reactions. The key point of the strategy ...

EPFL2008

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