Concept

Reactivity (chemistry)

Publications associées (53)

Structure, dynamics and catalytic activity of ruthenium(II)-arene phosphine complexes

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 ...

EPFL2007

Water-Exchange Study Revealed Unexpected Substitution Behavior of [(CO)2(NO)Re(H2O)3]2+ in Aqueous Media

André Merbach, Lothar Helm, Pascal Grundler, Marie-Line Lehaire

The pH-dependent water-exchange rates of [(CO)2(NO)Re(H2Ocis)2(H2Otrans)]2+ (1) in aq. media were investigated by means of 17O NMR spectroscopy at 298 K. Because of the low pKa value found for 1 (pKa = 1.4 ± 0.3), the water-exchange rate const. kobsH2Otran ...

2006

Reactivity of manganese, technetium and rhenium aquacarbonyl-complexes as potential precursors for radiopharmaceuticals

Pascal Grundler

Technetium is an artificial element and its isotope 99mTc is now used for several years as radio-imaging agent. Much research effort is directed towards enhanced targeting of the imaging agents in order to improve accuracy of the diagnosis and reduce the r ...

EPFL2005

Cobalt complexes of nitrogen anchored tripodal N-heterocyclic carbene ligand: Coordination chemistry and reactivity study

Xile Hu

Cationic cobalt(I) tris-carbene complexe [(TIMENxyl)Co]+ (1) is synthesized by reacting Co(PPh3)3Cl with the nitrogen anchored tripodal N-heterocyclic carbene ligand tris[2-(3-xylenylimidazol-2-ylidene)ethyl]amine (TIMENxyl). Compd. 1 displays diverse reac ...

2004

In situ identification and X-ray imaging of microorganisms distribution on the Tatahouine meteorite

Philippe Gillet

Microorganisms were searched for among the complex microstructures observed on the surface of a fragment of the Tatahouine meteorite inherited from the Tunisian soil in which they were buried. In this view, the chemical compositions, particularly the nitro ...

2004

Characterization of the Dizinc Analogue of the Synthetic Diiron Protein DF1 Using ab Initio and Hybrid Quantum/Classical Molecular Dynamics Simulations

Ursula Röthlisberger

The structural and dynamical properties of the four a-helix bundle Due Ferri 1, which is a generic mimic of diiron proteins, have been explored using d. functional theory (DFT) based and hybrid quantum/classical mol. dynamics (QM/MM) simulations. Four quan ...

2003

Pasty or liquid multiple constituent compositions for injectable calcium phosphate cements

Jacques Lemaître, David Brendlen

The invention concerns injectable bone filling cements, in particular hydraulic calcium phosphate cements, the latter being prepared from at least two initial liquid or pasty constituents comprising each a species reactive in solution or in suspension, the ...

2003

Comparison of fully coupled approaches for approximating nonlinear transport and reaction problems

David Andrew Barry

The purpose of this work is to evaluate the computational efficiency of fully coupled approaches for approximating a common class of nonlinear, two-phase advective–dispersive– reactive equations. The general problem considered includes homogeneous phase ch ...

2003

Hybrid Car-Parrinello/molecular mechanics modelling of transition metal complexes: Structure, dynamics and reactivity

Ursula Röthlisberger, Leonardo Guidoni

A review. The theor. modeling of chem. active transition metal (TM) centers is a notoriously difficult task. The metal-ligand interactions in these complexes are often highly directional and the concoction of suitable analytic interaction potentials can be ...

2002

Systematic Modulation of Michael-Type Reactivity of Thiols through the Use of Charged Amino Acids

Matthias Lütolf, Jeffrey Alan Hubbell, Nicola Tirelli

A quant. structure-reactivity relationship for the Michael-type addn. of thiols onto acrylates was detd. Several thiol-contg. peptides were investigated by examg. the correlation between the second-order rate const. of their addn. onto PEG-diacrylate and t ...

2001

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