Chimie Théorique Inorganique

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Boris guest editor in EurJIC

This cluster issue on molecular magnetism is dedicated to the legacy of O. Kahn.

M2 positions available at ITC in 2018

Several subjects are available from molecules to glasses starting February 2018.

CTI takes over J. Phys. Chem. Lett.!

In issue 14 (July 20) of J. Phys. Chem. Lett. you will find not one but two contributions from the team, including on the cover!

From metal to thermoelectric material

This joint experimental/theoretical study unravel the conversion of CuCr2S4 from metal to semiconductor with exciting thermoelectric properties by Sb doping.

First characterization of a TmII complex

The first measures of luminescence in a TmII complex are the subject of Boris and coworkers new contribution to Angew. Chem. Int. Ed..

Magnetic memory on nonmagnetic nanoparticles

Grafted silica nanoparticles have been designed to observe unprecedented memory effect of individual Dy(III) ions. To be read in open access in ACS Central Science.

Layered perovskites: sharp edges and excitons

Edge-states at the edges of the 2D perovskite layers lead to dissociation of electron-hole pairs (excitons) to free carriers for efficient photovoltaics.

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Level pinning in molecular junction

19 April 2018

Level pinning in molecular junction

Karine and her coworkers present in J. Phys. Chem. Lett. a joint experimental and theoretical study of molecular junctions exhibiting level pinning.

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Tuning of copper iodide cluster photophysical properties

16 April 2018

Tuning of copper iodide cluster photophysical properties

In this contribution to Inorg. Chem., Samia, Jean-Yves and their coworkers study a series of cubane copper iodide clusters. Those with electron-donating groups present classical luminescence properties, whereas cluster bearing electron withdrawing groups, exhibits original behavior demonstrating a clear influence of the ligands properties.

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Magnetic relaxation tuning in Dy complexes

11 April 2018

Magnetic relaxation tuning in Dy complexes

Boris and his coworkers show the modification of magnetic relaxation in mononuclear DyIII complexes by acting on the O-donor ligands.

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10 April 2018

Experimental and computational investigation of slow relaxation in [DyTp2Acac]

Boris and his coworkers rationalized the slow dynamics of magnetization in [DyTp2Acac]. Read more in Inorg. Chem. Front..

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10 April 2018

Optical properties of nor-Dihydroxanthene (DHX)-hemicyanine fused dyes rationalized

Boris and his coworkers use a combination of TDDFT and Coupled Cluster to rationalize the optical behavior of nor-Dihydroxanthene (DHX)-hemicyanine fused dyes. To be read in Phys. Chem. Chem. Phys..

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To be noted

Vincent - 13/04 - 11h00

Ab-inito study of lanthanide-based Single Molecule Magnets

Elizaveta Suturina - 10/04 - 10h30

Theory and modelling of lanthanide induced paramagnetic shift and relaxation enhancement

M2 seminar - 30/03 - 10h30

Présentation des projets de recherche menés par les étudiants de Master 2 de l’équipe.

Arthur Huguenot - 23/03 - 11h

Etude théorique de matériaux sulfure

Julius Hornung - 21/03 - 14h30

Hume-Rothery inspired Bimetallic Clusters: Chemistry at the borderline between molecular compounds and intermetallic solid state phases.

May 2018 :

Nothing for this month

April 2018 | June 2018