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Publications associées (29)

Gd(DOTAlaP): Exploring the Boundaries of Fast Water Exchange in Gadolinium-Based Magnetic Resonance Imaging Contrast Agents

Lothar Helm, Shima Karimi

Here, we describe the synthesis of the single amino acid chelator DOTAlaP and four of its derivatives. The corresponding gadolinium(III) complexes were investigated for their kinetic inertness, relaxometric properties at a range of fields and temperatures, ...

American Chemical Society2014

Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(IV) adducts

Kurt Schenk, Farzaneh Fadaei Tirani

Two triphenyltin(IV) adducts of difunctional ligands, N-(n-pyridinyl) diphenylphosphinic amide (n = 2 and 4), have been synthesized and characterized by H-1, P-31, Sn-119 NMR and IR spectroscopy. The spectroscopic properties of the complexes were compared ...

Royal Soc Chemistry2014

Modeling proton-induced damage on 2-deoxy-D-ribose. Conformational analysis

Pablo Lopez Tarifa

Modeling proton-induced damage in biological systems, in particular in DNA building blocks, is of major concern in studies on cancer proton therapy. This is indeed an extremely complex process and analysis of the mechanism at the molecular level is of cruc ...

Springer2014

Determination of the molecular structure of the short-lived light-induced high-spin state in the spin-crossover compound [Fe(6-mepy)(3)tren](PF6)(2)

Philip Pattison, Pradip Chakraborty, Antoine Tissot

In the spin-crossover compound Fe(6-mepy)(3)tren(2), (6-mepy)(3)tren=tris{4-[(6-methyl)-2-pyridyl]-3-aza-butenyl}amine, the high-spin state can be populated as a metastable state below the thermal transition temperature via irradiation into the meta ...

Amer Physical Soc2013

Interfacial Self-Assembly as Catalytic Platform for Multielectron Redox Reactions

Astrid Johana Olaya Avendano

In Nature, many vital biological processes take place across the interface formed between two dielectric media. For instance, photosynthesis and aerobic respiration involve a series of redox reactions occurring across energy-transducing membranes, in charg ...

EPFL2013

The role of Hartree-Fock exchange in the simulation of X-ray absorption spectra: A study of photoexcited [Fe(bpy)(3)](2+)

Majed Chergui, Ursula Röthlisberger, Ivano Tavernelli, Thomas James Penfold, Gloria Capano, Marco Eli Reinhard, Mercedes Hannelore Rittmann-Frank

We present a theoretical analysis for the K- and L-2/3-edge static and picosecond X-ray absorption spectra of Fe(bpy)(3). Simulations of the pre-edge region at the Fe K-edge using time-dependent density functional theory demonstrate the importance of ...

Elsevier2013

Silicon protected with atomic layer deposited TiO2: conducting versus tunnelling through TiO2

Michael Graetzel, Stanley David Tilley

The present work demonstrates that tuning the donor density of protective TiO2 layers on a photocathode has dramatic consequences for electronic conduction through TiO2 with implications for the stabilization of oxidation-sensitive catalysts on the surface ...

Royal Society of Chemistry2013

Synthesis, structural characterization, and antibacterial activity of mononuclear cobalt(III) azido complexes of two pentadentate Schiff bases derived from 2-hydroxynaphthaldehyde

Kurt Schenk, Farzaneh Fadaei Tirani

The structural, spectroscopic, and electrochemical properties of [Co{(naph)(2)dien}(N-3)] and [Co{(naph)(2)dpt}(N-3)], where (naph)(2)dien=bis-(2-hydroxy-1-naphthaldimine)-N-diethylenetriaminedianion and (naph)(2)dpt=bis-(2-hydroxy-1-naphthaldimine)-N-dipr ...

Taylor & Francis Ltd2013

Re and Br X-ray Absorption Near-Edge Structure Study of the Ground and Excited States of [ReBr(CO)(3)(bpy)] Interpreted by DFT and TD-DFT Calculations

Amal El Nahhas, Renske Marjan van der Veen

X-ray absorption spectra of fac-[ReBr(CO)(3)(bpy)] near the Re L-3- and Br K-edges were measured in a steady-state mode as well as time-resolved at 630 ps after 355 nm laser pulse excitation. Relativistic spin-orbit time-dependent density functional theory ...

American Chemical Society2013

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