Publications associées à Positively Charged GdIII Cryptates: Slow, Associative Water Exchange

Publications associées (27)

Pivot, process for manufacturing such a pivot, oscillator comprising such a pivot, watch movement and timepiece comprising such an oscillator

Simon Nessim Henein, Loïc Benoît Tissot-Daguette

The present invention concerns a pivot comprising two assemblies, namely a central assembly (401) and a peripheral assembly (400). These two assemblies are mobile in rotation relative to each other around an axis of rotation (A). The pivot is characterized ...

2024

Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “cis Rule”

Kay Severin, Farzaneh Fadaei Tirani, Damien Wen Chen, Jean Charles Edouard de Montmollin, Atena-Bianca Solea

Octahedral coordination cages of the general formula Pd6L1212 were obtained by combining Pd(CH3CN)42 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, ...

2024

Magnetic regulation of the luminescence of hybrid lanthanide-doped nanoparticles

Jean-Claude Bünzli

The unique optical properties of lanthanide-doped nanomaterials have made them broadly attractive to a wide range of applications in chemical, physical, and biomedical fields. As an external and real-time reg-ulation tool, the magnetic field is highly usef ...

ELSEVIER SCIENCE SA2022

Delivery of a Masked Uranium(II) by an Oxide-Bridged Diuranium(III) Complex

Marinella Mazzanti, Farzaneh Fadaei Tirani, Chad Thomas Palumbo, Dieuwertje Katelijn Modder

Oxide is an attractive linker for building polymetallic complexes that provide molecular models for metal oxide activity, but studies of these systems are limited to metals in high oxidation states. Herein, we synthesized and characterized the molecular an ...

Wiley-VCH Verlag GmbH2021

Cyclometalated Ir(III) complexes as tuneable multiband light sources for optical multisensor systems: Feasibility study

Anastasia Gitlina

Development of novel analytical devices complying with modern requirements of simplicity and cost-effectiveness is an important task. Multisensor systems based on various types of chemical sensors are promising tools in this respect. Herein the development ...

2020

Effect of periodic gas-puffs on drift-tearing modes in ADITYA/ADITYA-U tokamak discharges

Harshita Raj

The effect of a periodic train of short gas-puff pulses on the rotation frequency and amplitude of drift-tearing modes has been studied in ADITYA/ADITYA-U tokamak. The short gas puffs, injecting approximately similar to 10(17)-10(18) molecules of fuel gas ...

IOP Publishing Ltd2020

Structure and small molecule activation reactivity of a metallasilsesquioxane of divalent ytterbium

Anna Maria Dabrowska, Rosario Scopelliti, Marinella Mazzanti, Aurélien René Willauer

The first metallasilsesquioxane of a divalent lanthanide, Yb{Cy7Si7O11(OSiMe3)}(THF),1, was synthesized and structurally characterized. The Cy7Si7O11(OSiMe3)(2-)ligands in1bind two Yb(ii) ions in a bridging mode. The dinuclear complex effects the two- ...

Royal Society of Chemistry2020

Stability profiles of transition metal oxides in the oxygen evolution reaction in alkaline medium

Xile Hu, Aliki Moysiadou

The electrochemical water splitting reaction can convert renewable electricity into clean hydrogen fuel. The efficiency of water splitting is limited to a large extent by the sluggish oxygen evolution reaction (OER). Numerous transition metal oxides have b ...

Royal Society of Chemistry2019

Lanthanide mechanoluminescence

Jean-Claude Bünzli

Mechanoluminescence (ML) is the emission of light consecutive to a mechanical force or stress imposed to a crystalline material. Many inorganic and organic compounds present this phenomenon that is known for over 400 years. Lanthanide and uranyl salts were ...

Elsevier Science Bv2018

Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases

Rosario Scopelliti, Marinella Mazzanti, Julie Renée Michelle Andrez

We have investigated the influence of bound cations on the reduction of cobalt complexes of redox active ligands and explored the reactivity of reduced species with CO2. The one electron reduction of [CoII(Rsalophen)] with alkali metals (M = Li, Na, K) lea ...

2017

Investigation of Key Parameters Affecting Ion-Capturing Abilities of Mixed-Ligand Protected Gold Nanoparticles

Elif Ertem Bekdemir

Over the past decades, there has been a dramatic change in the types and amounts of metal ions in the biosphere, since we have introduced huge amount of metal waste into our environment in the course of industrialization of our society. Most of the metal c ...

EPFL2017

Chelating agents as coating molecules for iron oxide nanoparticles

Heinrich Hofmann, Josefina Adriana Maria Bastiaansen, Marijana Mionic Ebersold, Débora Bonvin

Due to their high chemical affinity towards metal ions, chelating agents (CAs) have been used for decades for water purification, but also for protection against metal intoxication and in nanomedicine as linking molecules at the surface of nanoparticles. H ...

RSC Publishing2017

Development of Site-Specific Mg2+-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations

Ursula Röthlisberger, Giulia Palermo

The vital contribution of Mg2+ ions to RNA biology is challenging to dissect at the experimental level. This calls for the integrative support of atomistic simulations, which at the classical level are plagued by limited accuracy. Indeed, force fields intr ...

2017

Water exchange studies of lanthanide complexes and aqua ions

Shima Karimi

Complexes of lanthanide (III) ions have been used in structural studies of biomolecules and as contrast agents (CA). Clinically approved CAs have only one water molecule in their first coordination sphere. Structure and water exchange rate of these complex ...

EPFL2016

Water Exchange on [Ln(DO3A)(H2O)2] and [Ln(DTTA–Me)(H2O)2]− Studied by Variable Temperature, Pressure, and Magnetic Field NMR

Lothar Helm, Shima Karimi

Water exchange kinetics of [Ln(L)(H2O)2]x complexes (Ln = Pr, Nd, Dy, Tm, and Yb; L = DO3A and DTTA–Me) were studied by 17O NMR spectroscopy as a function of temperature, pressure, and frequency and by 1H nuclear magnetic relaxation dispersion. Water excha ...

American Chemical Society2016

Quantum Chemical Study of the Water Exchange Mechanism of the Americyl(VI) Aqua Ion

François Rotzinger, Alberto Fabrizio

The water exchange reaction of the americyl(VI) aqua ion was investigated with quantum chemical methods, density functional theory (DFT), and wave function theory (WFT). Associative and dissociative substitution mechanisms were studied, whereby DFT produce ...

American Chemical Society2016

Complexation of [Gd(DTTA–Me)(H2O)2]− by Fluoride and Its Consequences to Water Exchange

Lothar Helm, Loïck Moriggi, Shima Karimi

The displacement of water molecule(s) from the inner coordination sphere of [Gd(DTTA–Me)(H2O)2]− (DTTA = ethylenetriamine-N,N,N″,N″-tetraacetate) by fluoride has been studied by multinuclear NMR relaxation (1H, 17O, 19F) and DFT calculations. Fluoride anio ...

American Chemical Society2016

Evaluation of Water Exchange Kinetics on [Ln(AAZTAPh–NO2)(H2O)q]x Complexes Using Proton Nuclear Magnetic Resonance

Lothar Helm, Shima Karimi

Water exchange kinetics on [Ln(AAZTAPh–NO2)(H2O)q]− (Ln = Gd3+, Dy3+, or Tm3+) were determined by 1H nuclear magnetic resonance (NMR) measurements. The number of inner-sphere water molecules was found to change from two to one when going from Dy3+ to Tm3+. ...

American Chemical Society2016

Synthesis of molecular complexes for small molecule activation

Julie Renée Michelle Andrez

The redox chemistry of f-elements is drawing the attention of inorganic chemists due to their unusual reaction pathways. Notably low-valent f-element complexes have been shown to be able to activate small molecules such as CO2 and N2 in mild conditions. Co ...

EPFL2016

Investigation of the water exchange mechanism of the Plutonyl(VI) and Uranyl(VI) ions with quantum chemical methods

François Rotzinger, Antonio Prlj

The water exchange reactions of PuO2(OH2)(5) and UO2(OH2)(5) were investigated with density functional theory (DFT) and wave function theory (WFT). Geometries and vibrational frequencies were calculated with DFT and CPCM hydration. The electron ...

Taylor & Francis2015